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

Systemtic Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)amino]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)C

Isomeric SMILES

CC1=CC(=NC(=N1)NN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)C

InChI

InChI=1S/C16H15N5O3S/c1-8-6-9(2)18-15(17-8)20-21-13(22)11-5-4-10(14(23)24-3)7-12(11)19-16(21)25/h4-7H,1-3H3,(H,19,25)(H,17,18,20)