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

Systemtic Name: 3-azanyl-4-oxidanylidene-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazoline-7-carboxylic acid Openeye Name: 3-amino-4-oxo-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]quinazoline-7-carboxylic acid CAS Name: 3-amino-4-oxo-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-7-quinazolinecarboxylic acid IUPAC Name: 3-amino-4-oxo-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazoline-7-carboxylic acid Traditional Name: 3-amino-4-keto-2-[3-[4-(2-quinolyl)piperazino]propylthio]quinazoline-7-carboxylic acid Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2N)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CCCSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2N)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H26N6O3S/c26-31-23(32)19-8-6-18(24(33)34)16-21(19)28-25(31)35-15-3-10-29-11-13-30(14-12-29)22-9-7-17-4-1-2-5-20(17)27-22/h1-2,4-9,16H,3,10-15,26H2,(H,33,34)