7-cyclopentyl-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-cyclopentyl-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopentyl-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopentyl-1,3-dimethyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopentyl-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopentyl-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC[NH+]4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC[NH+]4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C19H27N5O2S/c1-22-16-14(18(25)23(2)19(22)26)17(27-12-11-24-9-5-6-10-24)21-15(20-16)13-7-3-4-8-13/h13H,3-12H2,1-2H3/p+1