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

Systemtic Name: methyl 2-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1-amino-4-phenyl-imidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(1-amino-4-phenyl-2-imidazolyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-amino-4-phenylimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(1-amino-4-phenyl-imidazol-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3S/c1-28-19(27)13-7-8-14-15(9-13)22-17(24-18(14)26)11-29-20-23-16(10-25(20)21)12-5-3-2-4-6-12/h2-10H,11,21H2,1H3,(H,22,24,26)