methyl 3-(cyclopropylcarbonylamino)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(cyclopropylcarbonylamino)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(cyclopropanecarbonylamino)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(cyclopropanecarbonylamino)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(cyclopropanecarbonylamino)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)C3CC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)C3CC3

InChI

InChI=1S/C14H13N3O4S/c1-21-13(20)8-4-5-9-10(6-8)15-14(22)17(12(9)19)16-11(18)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,22)(H,16,18)