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

Systemtic Name: methyl 4-oxidanylidene-2-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(1-prop-2-enyl-2-benzimidazolyl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(1-allylbenzimidazol-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C21H18N4O3S/c1-3-10-25-17-7-5-4-6-15(17)23-21(25)29-12-18-22-16-11-13(20(27)28-2)8-9-14(16)19(26)24-18/h3-9,11H,1,10,12H2,2H3,(H,22,24,26)