methyl 3-[(6-chloranylpyridazin-3-yl)amino]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(6-chloranylpyridazin-3-yl)amino]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[(6-chloropyridazin-3-yl)amino]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(6-chloro-3-pyridazinyl)amino]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(6-chloropyridazin-3-yl)amino]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[(6-chloropyridazin-3-yl)amino]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C14H10ClN5O3S MolecularWeight: 363.7789

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC3=NN=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC3=NN=C(C=C3)Cl

InChI

InChI=1S/C14H10ClN5O3S/c1-23-13(22)7-2-3-8-9(6-7)16-14(24)20(12(8)21)19-11-5-4-10(15)17-18-11/h2-6H,1H3,(H,16,24)(H,18,19)