8,8-dimethyl-2-methylsulfanyl-5-pyridin-1-ium-3-yl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 8,8-dimethyl-2-methylsulfanyl-5-pyridin-1-ium-3-yl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 8,8-dimethyl-2-methylsulfanyl-5-pyridin-1-ium-3-yl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 8,8-dimethyl-2-(methylthio)-5-(3-pyridin-1-iumyl)-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 8,8-dimethyl-2-methylsulfanyl-5-pyridin-1-ium-3-yl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 8,8-dimethyl-2-(methylthio)-5-pyridin-1-ium-3-yl-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(C3=C(NC2=C1)NC(=NC3=O)SC)C4=C[NH+]=CC=C4)C

Isomeric SMILES

CC1(CC(=O)C2C(C3=C(NC2=C1)NC(=NC3=O)SC)C4=C[NH+]=CC=C4)C

InChI

InChI=1S/C19H20N4O2S/c1-19(2)7-11-14(12(24)8-19)13(10-5-4-6-20-9-10)15-16(21-11)22-18(26-3)23-17(15)25/h4-7,9,13-14H,8H2,1-3H3,(H2,21,22,23,25)/p+1