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

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

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C16H16ClN5O2S/c1-9(15(23)21-12-6-10(17)4-5-13(12)24-3)25-16-11-7-20-22(2)14(11)18-8-19-16/h4-9H,1-3H3,(H,21,23)