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

Systemtic Name: methyl 4-oxidanylidene-2-[[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C31H22N4O5S MolecularWeight: 562.59518

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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)N3C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C31H22N4O5S/c1-39-30(38)19-11-16-23-26(17-19)32-27(34-28(23)36)18-41-31-33-25-10-6-5-9-24(25)29(37)35(31)20-12-14-22(15-13-20)40-21-7-3-2-4-8-21/h2-17H,18H2,1H3,(H,32,34,36)