4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(2-morpholin-4-ylpyrimidin-5-yl)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(2-morpholin-4-ylpyrimidin-5-yl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(2-morpholinopyrimidin-5-yl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[2-(4-morpholinyl)-5-pyrimidinyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(2-morpholin-4-ylpyrimidin-5-yl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-(2-morpholinopyrimidin-5-yl)quinoline-3-carbonitrile Formula: C28H23ClN8OS MolecularWeight: 555.05322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CN=C(N=C5)N6CCOCC6)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CN=C(N=C5)N6CCOCC6)Cl

InChI

InChI=1S/C28H23ClN8OS/c1-36-7-6-31-28(36)39-25-5-3-21(13-23(25)29)35-26-19(14-30)15-32-24-12-18(2-4-22(24)26)20-16-33-27(34-17-20)37-8-10-38-11-9-37/h2-7,12-13,15-17H,8-11H2,1H3,(H,32,35)