8-[5-azanyl-3-(4-methylphenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[5-azanyl-3-(4-methylphenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[5-amino-3-(p-tolyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[5-amino-3-(4-methylphenyl)-1-pyrazolyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[5-amino-3-(4-methylphenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[5-amino-3-(p-tolyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H17N7O2/c1-9-4-6-10(7-5-9)11-8-12(18)24(21-11)16-19-13-14(20-16)22(2)17(26)23(3)15(13)25/h4-8H,18H2,1-3H3,(H,19,20)