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

Systemtic Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-[2-(1-piperidin-1-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(2-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=C3OC)SCC[NH+]4CCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)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(31-14-13-27-11-7-4-8-12-27)24-18(23-19)15-9-5-6-10-16(15)30-3/h5-6,9-10H,4,7-8,11-14H2,1-3H3/p+1