N-(3-chloranyl-4-methoxy-phenyl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C21H18ClN5O2S/c1-13-24-20-16(11-23-27(20)15-6-4-3-5-7-15)21(25-13)30-12-19(28)26-14-8-9-18(29-2)17(22)10-14/h3-11H,12H2,1-2H3,(H,26,28)