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

Systemtic Name: 6-azanyl-4-[[3-chloranyl-4-(4-methylpyrimidin-2-yl)sulfanyl-phenyl]amino]-7-ethoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-[3-chloro-4-(4-methylpyrimidin-2-yl)sulfanyl-anilino]-7-ethoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-[(4-methyl-2-pyrimidinyl)thio]anilino]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[3-chloro-4-(4-methylpyrimidin-2-yl)sulfanylanilino]-7-ethoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-[(4-methylpyrimidin-2-yl)thio]anilino]-7-ethoxy-quinoline-3-carbonitrile Formula: C23H19ClN6OS MolecularWeight: 462.95456

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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)Cl)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN6OS/c1-3-31-20-10-19-16(9-18(20)26)22(14(11-25)12-28-19)30-15-4-5-21(17(24)8-15)32-23-27-7-6-13(2)29-23/h4-10,12H,3,26H2,1-2H3,(H,28,30)