8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(2-oxo-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-[2-oxo-2-(1-pyrrolidinyl)ethyl]purine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(2-oxo-2-pyrrolidin-1-ylethyl)purine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-7-(2-keto-2-pyrrolidino-ethyl)-1,3-dimethyl-xanthine Formula: C18H27N7O3 MolecularWeight: 389.45208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCNCC3)CC(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCNCC3)CC(=O)N4CCCC4

InChI

InChI=1S/C18H27N7O3/c1-21-15-14(16(27)22(2)18(21)28)25(12-13(26)23-8-3-4-9-23)17(20-15)24-10-5-6-19-7-11-24/h19H,3-12H2,1-2H3