4-[[3-chloranyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-phenyl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-phenyl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-anilino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)thio]anilino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C24H20ClN5O2S MolecularWeight: 477.9659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)OC)C#N)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)OC)C#N)Cl)C

InChI

InChI=1S/C24H20ClN5O2S/c1-13-7-14(2)29-24(28-13)33-22-6-5-16(8-18(22)25)30-23-15(11-26)12-27-19-10-21(32-4)20(31-3)9-17(19)23/h5-10,12H,1-4H3,(H,27,30)