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

Systemtic Name: methyl 3-(2-diethylaminoethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-diethylaminoethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(2-diethylaminoethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-diethylaminoethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(2-diethylaminoethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

InChI

InChI=1S/C16H21N3O3S/c1-4-18(5-2)8-9-19-14(20)12-7-6-11(15(21)22-3)10-13(12)17-16(19)23/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,23)