1-cyclopropyl-7-[(3-methylphenyl)methyl]-3-phenyl-purine-2,6-dione

Systemtic Name: 1-cyclopropyl-7-[(3-methylphenyl)methyl]-3-phenyl-purine-2,6-dione Openeye Name: 1-cyclopropyl-7-(m-tolylmethyl)-3-phenyl-purine-2,6-dione CAS Name: 1-cyclopropyl-7-[(3-methylphenyl)methyl]-3-phenylpurine-2,6-dione IUPAC Name: 1-cyclopropyl-7-[(3-methylphenyl)methyl]-3-phenylpurine-2,6-dione Traditional Name: 1-cyclopropyl-7-(3-methylbenzyl)-3-phenyl-xanthine Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H20N4O2/c1-15-6-5-7-16(12-15)13-24-14-23-20-19(24)21(27)26(18-10-11-18)22(28)25(20)17-8-3-2-4-9-17/h2-9,12,14,18H,10-11,13H2,1H3