N-(cyclohexen-1-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-propyl-ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-propyl-ethanamide Openeye Name: N-(cyclohexen-1-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-propyl-acetamide CAS Name: N-(1-cyclohexenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-propylacetamide IUPAC Name: N-(cyclohexen-1-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide Traditional Name: N-(cyclohexen-1-yl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-propyl-acetamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CCCCC1)C(=O)CSC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CCCN(C1=CCCCC1)C(=O)CSC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C17H23N5OS/c1-3-9-22(13-7-5-4-6-8-13)15(23)11-24-17-14-10-20-21(2)16(14)18-12-19-17/h7,10,12H,3-6,8-9,11H2,1-2H3