methyl 2-(4-morpholin-4-yl-4-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(4-morpholin-4-yl-4-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(4-morpholino-4-oxo-butyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[4-(4-morpholinyl)-4-oxobutyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-morpholin-4-yl-4-oxobutyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-keto-4-morpholino-butyl)thio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCC(=O)N3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCC(=O)N3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5S/c1-33-25(32)20-9-10-21-22(18-20)27-26(29(24(21)31)12-11-19-6-3-2-4-7-19)35-17-5-8-23(30)28-13-15-34-16-14-28/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3