ethyl 6-[5-[(2-methylquinazolin-4-yl)sulfanylmethyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[5-[(2-methylquinazolin-4-yl)sulfanylmethyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[5-[(2-methylquinazolin-4-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate CAS Name: 6-[5-[[(2-methyl-4-quinazolinyl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-[(2-methylquinazolin-4-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate Traditional Name: 6-keto-6-[2-keto-5-[[(2-methylquinazolin-4-yl)thio]methyl]-4-imidazolin-4-yl]hexanoic acid ethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H24N4O4S/c1-3-29-18(27)11-7-6-10-17(26)19-16(24-21(28)25-19)12-30-20-14-8-4-5-9-15(14)22-13(2)23-20/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H2,24,25,28)