1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-phenacyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-phenacyl-purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-phenacylpurine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-phenacylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-phenacyl-xanthine Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3/c1-25(14-16-10-6-4-7-11-16)22-24-20-19(21(30)27(3)23(31)26(20)2)28(22)15-18(29)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3