8-(4-dimethylaminophenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-dimethylaminophenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-dimethylaminophenyl)-7-methyl-purine-2,6-dione CAS Name: 8-(4-dimethylaminophenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-dimethylaminophenyl)-7-methylpurine-2,6-dione Traditional Name: 3-benzyl-8-(4-dimethylaminophenyl)-7-methyl-xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)N(C)C)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)N(C)C)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c1-24(2)16-11-9-15(10-12-16)18-22-19-17(25(18)3)20(27)23-21(28)26(19)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,23,27,28)