5-chloranyl-N-[(3-methoxy-4-propoxy-phenyl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(3-methoxy-4-propoxy-phenyl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(3-methoxy-4-propoxy-phenyl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(3-methoxy-4-propoxy-benzyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SC)OC

InChI

InChI=1S/C17H20ClN3O3S/c1-4-7-24-13-6-5-11(8-14(13)23-2)9-19-16(22)15-12(18)10-20-17(21-15)25-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,22)