4-[[3-chloranyl-4-(4-methylpyrimidin-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(4-methylpyrimidin-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(4-methylpyrimidin-2-yl)sulfanyl-anilino]-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(4-methyl-2-pyrimidinyl)thio]anilino]-6-methoxy-7-[3-(4-morpholinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(4-methylpyrimidin-2-yl)sulfanylanilino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(4-methylpyrimidin-2-yl)thio]anilino]-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile Formula: C29H29ClN6O3S MolecularWeight: 577.09696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)OCCCN5CCOCC5)C#N)Cl

Isomeric SMILES

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)OCCCN5CCOCC5)C#N)Cl

InChI

InChI=1S/C29H29ClN6O3S/c1-19-6-7-32-29(34-19)40-27-5-4-21(14-23(27)30)35-28-20(17-31)18-33-24-16-26(25(37-2)15-22(24)28)39-11-3-8-36-9-12-38-13-10-36/h4-7,14-16,18H,3,8-13H2,1-2H3,(H,33,35)