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

Systemtic Name: 1,3-dimethyl-7-phenyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-phenyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-phenyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-phenyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-phenyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC[NH+]4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC[NH+]4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H23N5O2S/c1-23-17-15(19(26)24(2)20(23)27)18(28-13-12-25-10-6-7-11-25)22-16(21-17)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3/p+1