4-[2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-3,3-dimethyl-piperazin-2-one

Systemtic Name: 4-[2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-3,3-dimethyl-piperazin-2-one Openeye Name: 4-[2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-3,3-dimethyl-piperazin-2-one CAS Name: 4-[2-[(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]-3,3-dimethyl-2-piperazinone IUPAC Name: 4-[2-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-3,3-dimethylpiperazin-2-one Traditional Name: 4-[2-[(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]-3,3-dimethyl-piperazin-2-one Formula: C22H24N6O2S MolecularWeight: 436.52996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1C(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5)C

Isomeric SMILES

CC1(C(=O)NCCN1C(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5)C

InChI

InChI=1S/C22H24N6O2S/c1-22(2)21(30)23-10-11-27(22)17(29)13-31-20-16-12-24-28(15-6-4-3-5-7-15)19(16)25-18(26-20)14-8-9-14/h3-7,12,14H,8-11,13H2,1-2H3,(H,23,30)