6-azanyl-4-[(3-chloranyl-4-pyrimidin-2-ylsulfanyl-phenyl)amino]-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[(3-chloranyl-4-pyrimidin-2-ylsulfanyl-phenyl)amino]-7-methoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-(3-chloro-4-pyrimidin-2-ylsulfanyl-anilino)-7-methoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-(2-pyrimidinylthio)anilino]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-(3-chloro-4-pyrimidin-2-ylsulfanylanilino)-7-methoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-(2-pyrimidylthio)anilino]-7-methoxy-quinoline-3-carbonitrile Formula: C21H15ClN6OS MolecularWeight: 434.9014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC=CC=N4)Cl)C#N)N

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC=CC=N4)Cl)C#N)N

InChI

InChI=1S/C21H15ClN6OS/c1-29-18-9-17-14(8-16(18)24)20(12(10-23)11-27-17)28-13-3-4-19(15(22)7-13)30-21-25-5-2-6-26-21/h2-9,11H,24H2,1H3,(H,27,28)