Methyl 1-(2,5-dimethylphenyl)-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate - CAS 1011360-05-6

Catalog:	BB049125
Product Name:	Methyl 1-(2,5-dimethylphenyl)-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
CAS:	1011360-05-6
Synonyms:	methyl 1-(2,5-dimethylphenyl)-7-methyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate; Methyl 1-(2,5-dimethylphenyl)-7-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate; Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-7-methyl-4-oxo-2-thioxo-, methyl ester; methyl 1-(2,5-dimethylphenyl)-7-methyl-4-oxo-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

Technical Data

IUPAC Name:	methyl 1-(2,5-dimethylphenyl)-7-methyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
Description:	Methyl 1-(2,5-dimethylphenyl)-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate (CAS# 1011360-05-6 ) is a useful research chemical.
Molecular Weight:	355.41
Molecular Formula:	C18H17N3O3S
Canonical SMILES:	CC1=CC(=C(C=C1)C)N2C3=NC(=CC(=C3C(=O)NC2=S)C(=O)OC)C
InChI:	InChI=1S/C18H17N3O3S/c1-9-5-6-10(2)13(7-9)21-15-14(16(22)20-18(21)25)12(17(23)24-4)8-11(3)19-15/h5-8H,1-4H3,(H,20,22,25)
InChI Key:	MWZYYMJDFUIGLI-UHFFFAOYSA-N
Boiling Point:	555.0±60.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³

Complexity:	570
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	355.09906259
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	355.09906259
Rotatable Bond Count:	3
Topological Polar Surface Area:	104
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3