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

Systemtic Name: 1,3-dimethyl-7-(2-methylphenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-(o-tolyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(2-methylphenyl)-5-[2-(1-piperidin-1-iumyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(2-methylphenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-(o-tolyl)-5-(2-piperidin-1-ium-1-ylethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=N2)SCC[NH+]4CCCCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=N2)SCC[NH+]4CCCCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H27N5O2S/c1-15-9-5-6-10-16(15)18-23-19-17(21(28)26(3)22(29)25(19)2)20(24-18)30-14-13-27-11-7-4-8-12-27/h5-6,9-10H,4,7-8,11-14H2,1-3H3/p+1