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

Systemtic Name: methyl 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(2-morpholinoethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-[2-(4-morpholinyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]-3-(2-morpholinoethyl)quinazoline-7-carboxylic acid methyl ester Formula: C29H35N5O6S MolecularWeight: 581.6831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CCN5CCOCC5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CCN5CCOCC5

InChI

InChI=1S/C29H35N5O6S/c1-38-25-6-4-3-5-24(25)32-10-12-33(13-11-32)26(35)20-41-29-30-23-19-21(28(37)39-2)7-8-22(23)27(36)34(29)14-9-31-15-17-40-18-16-31/h3-8,19H,9-18,20H2,1-2H3