6-methyl-2-[(8-methyl-6-oxidanylidene-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)sulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[(8-methyl-6-oxidanylidene-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)sulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[(8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)sulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[(8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)sulfanyl]pyrimidin-4-olate Traditional Name: 2-[(6-keto-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)thio]-6-methyl-pyrimidin-4-olate Formula: C16H12N3O4S- MolecularWeight: 342.34918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C3=CC4=C(C=C3NC2=O)OCO4)C)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C3=CC4=C(C=C3NC2=O)OCO4)C)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-7-3-13(20)19-16(17-7)24-14-8(2)9-4-11-12(23-6-22-11)5-10(9)18-15(14)21/h3-5H,6H2,1-2H3,(H,18,21)(H,17,19,20)/p-1