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

Systemtic Name: 1,3-dimethyl-8-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]-7H-purine-2,6-quinone Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H19N7O2/c1-10-5-7-12(8-6-10)25-13(9-11(2)22-25)19-17-20-14-15(21-17)23(3)18(27)24(4)16(14)26/h5-9H,1-4H3,(H2,19,20,21)