2-[(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)sulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)sulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)sulfanyl]-1H-quinazolin-4-one CAS Name: 2-[(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)thio]-1H-quinazolin-4-one IUPAC Name: 2-[(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)sulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)thio]-1H-quinazolin-4-one Formula: C14H17N4OS+ MolecularWeight: 289.37598

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[N+](=C1SC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CN1CCC[N+](=C1SC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C14H16N4OS/c1-17-8-5-9-18(2)14(17)20-13-15-11-7-4-3-6-10(11)12(19)16-13/h3-4,6-7H,5,8-9H2,1-2H3/p+1