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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c27-19(22-12-11-16-7-3-1-4-8-16)14-28-21-18-13-25-26(20(18)23-15-24-21)17-9-5-2-6-10-17/h2,5-7,9-10,13,15H,1,3-4,8,11-12,14H2,(H,22,27)