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

Systemtic Name: 1,3,7-trimethyl-8-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]xanthine Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H21N7O2/c1-11-6-8-13(9-7-11)26-14(10-12(2)22-26)20-18-21-16-15(23(18)3)17(27)25(5)19(28)24(16)4/h6-10H,1-5H3,(H,20,21)