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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-2-phenylacetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenylacetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-2-phenyl-acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C22H21N5O2S/c1-14-9-10-18(29-3)17(11-14)26-21(28)19(15-7-5-4-6-8-15)30-22-16-12-25-27(2)20(16)23-13-24-22/h4-13,19H,1-3H3,(H,26,28)