4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-ethoxy-2-phenylazanyl-quinoline-3-carbonitrile

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-ethoxy-2-phenylazanyl-quinoline-3-carbonitrile Openeye Name: 2-anilino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-ethoxy-quinoline-3-carbonitrile CAS Name: 2-anilino-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 2-anilino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-ethoxyquinoline-3-carbonitrile Traditional Name: 2-anilino-4-[(4,6-dimethylpyrimidin-2-yl)thio]-7-ethoxy-quinoline-3-carbonitrile Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=C(C(=N2)NC3=CC=CC=C3)C#N)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=C(C(=N2)NC3=CC=CC=C3)C#N)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C24H21N5OS/c1-4-30-18-10-11-19-21(13-18)29-23(28-17-8-6-5-7-9-17)20(14-25)22(19)31-24-26-15(2)12-16(3)27-24/h5-13H,4H2,1-3H3,(H,28,29)