methyl 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C19H16N4O3S/c1-10-3-6-13-15(7-10)22-19(21-13)27-9-16-20-14-8-11(18(25)26-2)4-5-12(14)17(24)23-16/h3-8H,9H2,1-2H3,(H,21,22)(H,20,23,24)