N-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: N-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-N-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-phenyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-propan-2-ylacetamide IUPAC Name: N-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-N-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-16(2)26(17-9-5-3-6-10-17)20(28)14-29-22-19-13-25-27(21(19)23-15-24-22)18-11-7-4-8-12-18/h3-13,15-16H,14H2,1-2H3