[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-(3-pyridyl)methanone CAS Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]-pyridin-3-ylmethanone Traditional Name: [4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidin-5-yl]-(3-pyridyl)methanone Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)C3=CN=CC=C3)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)C3=CN=CC=C3)SC)Cl

InChI

InChI=1S/C19H17ClN4O2S/c1-26-16-6-5-12(8-15(16)20)9-22-18-14(11-23-19(24-18)27-2)17(25)13-4-3-7-21-10-13/h3-8,10-11H,9H2,1-2H3,(H,22,23,24)