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

Systemtic Name: methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(1-ethyl-2-pyrrolidinyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[(1-ethylpyrrolidin-2-yl)methyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CCN1CCCC1CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C17H21N3O3S/c1-3-19-8-4-5-12(19)10-20-15(21)13-7-6-11(16(22)23-2)9-14(13)18-17(20)24/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,24)