3-methyl-8-[[(3-methylphenyl)amino]methyl]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[[(3-methylphenyl)amino]methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[(3-methylanilino)methyl]purine-2,6-dione CAS Name: 3-methyl-8-[(3-methylanilino)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[(3-methylanilino)methyl]purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(m-toluidinomethyl)xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H21N5O2/c1-14-7-6-10-16(11-14)22-12-17-23-19-18(20(27)24-21(28)25(19)2)26(17)13-15-8-4-3-5-9-15/h3-11,22H,12-13H2,1-2H3,(H,24,27,28)