methyl 3-(2-morpholin-4-ylethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-morpholin-4-ylethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-3-(2-morpholinoethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-(4-morpholinyl)ethyl]-4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-3-(2-morpholinoethyl)quinazoline-7-carboxylic acid methyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CCN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CCN4CCOCC4

InChI

InChI=1S/C25H28N4O5S/c1-33-24(32)19-7-8-20-21(15-19)27-25(29(23(20)31)10-9-28-11-13-34-14-12-28)35-17-22(30)26-16-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3,(H,26,30)