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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2/c1-11-7-6-8-15(9-11)10-25-16-17(24(5)20(28)22-18(16)27)21-19(25)26-14(4)12(2)13(3)23-26/h6-9H,10H2,1-5H3,(H,22,27,28)