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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)NC3=O)C

InChI

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