7-[3-(dimethylamino)propylamino]-6-methoxy-4-[(4-pyridin-2-ylsulfanylphenyl)amino]quinoline-3-carbonitrile

Systemtic Name: 7-[3-(dimethylamino)propylamino]-6-methoxy-4-[(4-pyridin-2-ylsulfanylphenyl)amino]quinoline-3-carbonitrile Openeye Name: 7-[3-(dimethylamino)propylamino]-6-methoxy-4-[4-(2-pyridylsulfanyl)anilino]quinoline-3-carbonitrile CAS Name: 7-[3-(dimethylamino)propylamino]-6-methoxy-4-[4-(2-pyridinylthio)anilino]-3-quinolinecarbonitrile IUPAC Name: 7-[3-(dimethylamino)propylamino]-6-methoxy-4-(4-pyridin-2-ylsulfanylanilino)quinoline-3-carbonitrile Traditional Name: 7-[3-(dimethylamino)propylamino]-6-methoxy-4-[4-(2-pyridylthio)anilino]quinoline-3-carbonitrile Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(C=C2C(=C1)N=CC(=C2NC3=CC=C(C=C3)SC4=CC=CC=N4)C#N)OC

Isomeric SMILES

CN(C)CCCNC1=C(C=C2C(=C1)N=CC(=C2NC3=CC=C(C=C3)SC4=CC=CC=N4)C#N)OC

InChI

InChI=1S/C27H28N6OS/c1-33(2)14-6-13-29-24-16-23-22(15-25(24)34-3)27(19(17-28)18-31-23)32-20-8-10-21(11-9-20)35-26-7-4-5-12-30-26/h4-5,7-12,15-16,18,29H,6,13-14H2,1-3H3,(H,31,32)