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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-2-phenylacetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-2-phenyl-acetamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C21H18ClN5O2S/c1-27-19-15(11-25-27)21(24-12-23-19)30-18(13-6-4-3-5-7-13)20(28)26-14-8-9-17(29-2)16(22)10-14/h3-12,18H,1-2H3,(H,26,28)