ethyl 3-azanyl-4-oxidanylidene-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: ethyl 3-azanyl-4-oxidanylidene-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazoline-7-carboxylate Openeye Name: ethyl 3-amino-4-oxo-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]quinazoline-7-carboxylate CAS Name: 3-amino-4-oxo-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-7-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-oxo-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazoline-7-carboxylate Traditional Name: 3-amino-4-keto-2-[3-[4-(2-quinolyl)piperazino]propylthio]quinazoline-7-carboxylic acid ethyl ester Formula: C27H30N6O3S MolecularWeight: 518.6305

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)N

InChI

InChI=1S/C27H30N6O3S/c1-2-36-26(35)20-8-10-21-23(18-20)30-27(33(28)25(21)34)37-17-5-12-31-13-15-32(16-14-31)24-11-9-19-6-3-4-7-22(19)29-24/h3-4,6-11,18H,2,5,12-17,28H2,1H3