8-(1,4-diazepan-1-yl)-3-methyl-1-phenacyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-3-methyl-1-phenacyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(1,4-diazepan-1-yl)-3-methyl-1-phenacyl-purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-3-methyl-1-phenacyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(1,4-diazepan-1-yl)-3-methyl-1-phenacylpurine-2,6-dione Traditional Name: 7-benzyl-8-(1,4-diazepan-1-yl)-3-methyl-1-phenacyl-xanthine Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCNCC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCNCC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O3/c1-29-23-22(24(34)32(26(29)35)18-21(33)20-11-6-3-7-12-20)31(17-19-9-4-2-5-10-19)25(28-23)30-15-8-13-27-14-16-30/h2-7,9-12,27H,8,13-18H2,1H3