methyl 4-(4-azanyl-6-oxidanylidene-2-sulfanylidene-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl)benzoate

Systemtic Name: methyl 4-(4-azanyl-6-oxidanylidene-2-sulfanylidene-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl)benzoate Openeye Name: methyl 4-(4-amino-6-oxo-2-thioxo-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl)benzoate CAS Name: 4-(4-amino-6-oxo-2-sulfanylidene-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-amino-6-oxo-2-sulfanylidene-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl)benzoate Traditional Name: 4-(4-amino-6-keto-2-thioxo-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl)benzoic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=NC(=S)NC(=C24)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=NC(=S)NC(=C24)N

InChI

InChI=1S/C19H18N4O3S/c1-26-18(25)10-7-5-9(6-8-10)13-14-11(3-2-4-12(14)24)21-17-15(13)16(20)22-19(27)23-17/h5-8,13H,2-4H2,1H3,(H4,20,21,22,23,27)