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

Systemtic Name: methyl 3-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(isopentylamino)-2-oxo-ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-(3-methylbutylamino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(3-methylbutylamino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-(isoamylamino)-2-keto-ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

CC(C)CCNC(=O)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

InChI

InChI=1S/C17H21N3O4S/c1-10(2)6-7-18-14(21)9-20-15(22)12-5-4-11(16(23)24-3)8-13(12)19-17(20)25/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)(H,19,25)