methyl 4-oxidanylidene-2-[[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-benzyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(3-benzyl-4-keto-quinazolin-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C26H20N4O4S MolecularWeight: 484.5264

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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=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H20N4O4S/c1-34-25(33)17-11-12-18-21(13-17)27-22(29-23(18)31)15-35-26-28-20-10-6-5-9-19(20)24(32)30(26)14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,27,29,31)