2-(3,5-dimethylpyrazol-1-yl)-7-methyl-3-[(4-methylphenyl)methyl]-9H-purine-6,8-dione

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-7-methyl-3-[(4-methylphenyl)methyl]-9H-purine-6,8-dione Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-7-methyl-3-(p-tolylmethyl)-9H-purine-6,8-dione CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-7-methyl-3-[(4-methylphenyl)methyl]-9H-purine-6,8-dione IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-7-methyl-3-[(4-methylphenyl)methyl]-9H-purine-6,8-dione Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-7-methyl-3-(4-methylbenzyl)-9H-purine-6,8-quinone Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=O)N=C2N4C(=CC(=N4)C)C)N(C(=O)N3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=O)N=C2N4C(=CC(=N4)C)C)N(C(=O)N3)C

InChI

InChI=1S/C19H20N6O2/c1-11-5-7-14(8-6-11)10-24-16-15(23(4)19(27)20-16)17(26)21-18(24)25-13(3)9-12(2)22-25/h5-9H,10H2,1-4H3,(H,20,27)