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

Systemtic Name: 6-azanyl-4-[[3-chloranyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-phenyl]amino]-7-ethoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-anilino]-7-ethoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-7-ethoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)thio]anilino]-7-ethoxy-quinoline-3-carbonitrile Formula: C24H21ClN6OS MolecularWeight: 476.98114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=CC(=N4)C)C)Cl)C#N)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=CC(=N4)C)C)Cl)C#N)N

InChI

InChI=1S/C24H21ClN6OS/c1-4-32-21-10-20-17(9-19(21)27)23(15(11-26)12-28-20)31-16-5-6-22(18(25)8-16)33-24-29-13(2)7-14(3)30-24/h5-10,12H,4,27H2,1-3H3,(H,28,31)