Ethyl [(1-cyclopropyl-5,7-dimethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetate - CAS 938015-58-8

Name: Ethyl [(1-cyclopropyl-5,7-dimethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB042801
Product Name:	Ethyl [(1-cyclopropyl-5,7-dimethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
CAS:	938015-58-8
Synonyms:	Ethyl 2-((1-cyclopropyl-5,7-dimethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl)thio)acetate; BBL040892; SBB024157

Technical Data

Computed Properties

IUPAC Name:	ethyl 2-(1-cyclopropyl-5,7-dimethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetate
Description:	Ethyl [(1-cyclopropyl-5,7-dimethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetate (CAS# 938015-58-8 ) is a useful research chemical.
Molecular Weight:	333.40
Molecular Formula:	C16H19N3O3S
Canonical SMILES:	CCOC(=O)CSC1=NC(=O)C2=C(N1C3CC3)N=C(C=C2C)C
InChI:	InChI=1S/C16H19N3O3S/c1-4-22-12(20)8-23-16-18-15(21)13-9(2)7-10(3)17-14(13)19(16)11-5-6-11/h7,11H,4-6,8H2,1-3H3
InChI Key:	ZIPHWXUNMMEJBM-UHFFFAOYSA-N

Complexity:	521
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	333.11471265
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	333.11471265
Rotatable Bond Count:	6
Topological Polar Surface Area:	97.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7

Ethyl [(1-cyclopropyl-5,7-dimethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetate - CAS 938015-58-8

Technical Data

Computed Properties

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