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

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)-3-pyrazolin-3-one Formula: C16H15N7O MolecularWeight: 321.3366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H15N7O/c1-10-12(21-15-13-14(18-8-17-13)19-9-20-15)16(24)23(22(10)2)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,17,18,19,20,21)