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

Systemtic Name: 1,3-dimethyl-8-(6-oxidanyl-1,4-diazepan-1-yl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(6-hydroxy-1,4-diazepan-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(6-hydroxy-1,4-diazepan-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(6-hydroxy-1,4-diazepan-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(6-hydroxy-1,4-diazepan-1-yl)-1,3-dimethyl-xanthine Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC(C3)O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC(C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C19H24N6O3/c1-22-16-15(17(27)23(2)19(22)28)25(11-13-6-4-3-5-7-13)18(21-16)24-9-8-20-10-14(26)12-24/h3-7,14,20,26H,8-12H2,1-2H3