1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(phenethylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-(phenethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(phenethylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(phenethylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(phenethylamino)xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H25N5O2/c1-16-8-7-11-18(14-16)15-28-19-20(26(2)23(30)27(3)21(19)29)25-22(28)24-13-12-17-9-5-4-6-10-17/h4-11,14H,12-13,15H2,1-3H3,(H,24,25)