4-[(3-chloranyl-4-pyridin-2-ylsulfanyl-phenyl)amino]-7-[3-(dimethylamino)propyl-methyl-amino]-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-pyridin-2-ylsulfanyl-phenyl)amino]-7-[3-(dimethylamino)propyl-methyl-amino]-6-methoxy-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(2-pyridylsulfanyl)anilino]-7-[3-(dimethylamino)propyl-methyl-amino]-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(2-pyridinylthio)anilino]-7-[3-(dimethylamino)propyl-methylamino]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-pyridin-2-ylsulfanylanilino)-7-[3-(dimethylamino)propyl-methylamino]-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(2-pyridylthio)anilino]-7-[3-(dimethylamino)propyl-methyl-amino]-6-methoxy-quinoline-3-carbonitrile Formula: C28H29ClN6OS MolecularWeight: 533.08746

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C)C1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=CC=CC=N4)Cl)C#N)OC

Isomeric SMILES

CN(C)CCCN(C)C1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=CC=CC=N4)Cl)C#N)OC

InChI

InChI=1S/C28H29ClN6OS/c1-34(2)12-7-13-35(3)24-16-23-21(15-25(24)36-4)28(19(17-30)18-32-23)33-20-9-10-26(22(29)14-20)37-27-8-5-6-11-31-27/h5-6,8-11,14-16,18H,7,12-13H2,1-4H3,(H,32,33)