methyl 3-(2-morpholin-4-ylethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-morpholin-4-ylethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-morpholinoethyl)-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-[2-(4-morpholinyl)ethyl]-4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-morpholin-4-ylethyl)-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-3-(2-morpholinoethyl)quinazoline-7-carboxylic acid methyl ester Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CCN5CCOCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CCN5CCOCC5

InChI

InChI=1S/C28H33N5O5S/c1-37-27(36)21-7-8-23-24(19-21)29-28(33(26(23)35)14-9-30-15-17-38-18-16-30)39-20-25(34)32-12-10-31(11-13-32)22-5-3-2-4-6-22/h2-8,19H,9-18,20H2,1H3