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

Systemtic Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-[2-(1-piperidin-1-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H28N5O3S+ MolecularWeight: 442.55442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC(=CC=C3)OC)SCC[NH+]4CCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC(=CC=C3)OC)SCC[NH+]4CCCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C22H27N5O3S/c1-25-19-17(21(28)26(2)22(25)29)20(31-13-12-27-10-5-4-6-11-27)24-18(23-19)15-8-7-9-16(14-15)30-3/h7-9,14H,4-6,10-13H2,1-3H3/p+1