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

Systemtic Name: 3,7-dimethyl-1-[(2-methylphenyl)methyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(o-tolylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(2-methylphenyl)methyl]-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(2-methylphenyl)methyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(2-methylbenzyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C3=C(N=C(N3C)N4C(=C(C(=N4)C)C)C)N(C2=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(N=C(N3C)N4C(=C(C(=N4)C)C)C)N(C2=O)C

InChI

InChI=1S/C21H24N6O2/c1-12-9-7-8-10-16(12)11-26-19(28)17-18(25(6)21(26)29)22-20(24(17)5)27-15(4)13(2)14(3)23-27/h7-10H,11H2,1-6H3