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

Systemtic Name: 1,3-dimethyl-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-oxo-2-pyrrolidin-1-yl-ethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(1-pyrrolidinyl)ethyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-oxo-2-pyrrolidin-1-ylethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-keto-2-pyrrolidino-ethyl)-1,3-dimethyl-8-piperazino-xanthine Formula: C17H25N7O3 MolecularWeight: 375.4255

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC(=O)N4CCCC4

InChI

InChI=1S/C17H25N7O3/c1-20-14-13(15(26)21(2)17(20)27)24(11-12(25)22-7-3-4-8-22)16(19-14)23-9-5-18-6-10-23/h18H,3-11H2,1-2H3