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3-amino-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

3-amino-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione - CAS 67304-67-0

Catalog:	BB074748
Product Name:	3-amino-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CAS:	67304-67-0
Synonyms:	3-amino-5,7-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione; 3-amino-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione; 3-AMINO-5,7-DIMETHYL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIONE

Technical Data

Computed Properties

IUPAC Name:	3-amino-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
Molecular Weight:	195.17
Molecular Formula:	C7H9N5O2
Canonical SMILES:	CN1C2=NNC(=C2C(=O)N(C1=O)C)N
InChI:	InChI=1S/C7H9N5O2/c1-11-5-3(4(8)9-10-5)6(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)
InChI Key:	DBOGCXGDFZVKCG-UHFFFAOYSA-N

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Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.07562455
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	195.07562455
Rotatable Bond Count:	0
Topological Polar Surface Area:	95.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4