N-(5-chloranyl-2-methoxy-phenyl)-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C16H16ClN5O2S/c1-22-15-11(8-20-22)16(19-9-18-15)25-6-5-14(23)21-12-7-10(17)3-4-13(12)24-2/h3-4,7-9H,5-6H2,1-2H3,(H,21,23)