methyl 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(2-methyl-4-quinazolinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(2-methylquinazolin-4-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H16N4O3S/c1-11-21-15-6-4-3-5-14(15)19(22-11)28-10-17-23-16-9-12(20(26)27-2)7-8-13(16)18(25)24-17/h3-9H,10H2,1-2H3,(H,23,24,25)