ANTIPYRINE, 4-(9H-PURIN-6-YLAMINO)-

1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)pyrazol-3-one

CAS: 52972-57-3

Molecular Formula	`C16H15N7O`
Molecular Weight	321.34 g/mol
LogP	2.3
Topological Polar Surface Area	90.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	321.13382
Heavy Atoms	24
Complexity	531.0

Chemical Identifiers

CAS Number	52972-57-3
SMILES	`CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3NC=N4`
InChIKey	`WIABVEKXPPUCOJ-UHFFFAOYSA-N`

📖 Product Overview

ANTIPYRINE, 4-(9H-PURIN-6-YLAMINO)- (CAS: 52972-57-3) is a chemical compound with molecular formula C16H15N7O and molecular weight 321.34 g/mol. Its IUPAC systematic name is 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)pyrazol-3-one. LogP 2.3 Topological Polar Surface Area 90.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 321.13382 Heavy Atoms 24 Complexity 531.0 InChI Key: WIABVEKXPPUCOJ-UHFFFAOYSA-N. SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3NC=N4.

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