3,7-dimethyl-1-[3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]purine-2,6-dione Traditional Name: 1-[3-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]propyl]-3,7-dimethyl-xanthine Formula: C20H31N7O3 MolecularWeight: 417.50524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C20H31N7O3/c1-22-15-21-18-17(22)19(29)27(20(30)23(18)2)9-5-6-24-10-12-25(13-11-24)14-16(28)26-7-3-4-8-26/h15H,3-14H2,1-2H3