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

Systemtic Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H26N5O3S+ MolecularWeight: 428.52784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3S/c1-24-18-16(20(27)25(2)21(24)28)19(30-12-11-26-9-4-5-10-26)23-17(22-18)14-7-6-8-15(13-14)29-3/h6-8,13H,4-5,9-12H2,1-3H3/p+1