N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-benzamide

Systemtic Name: N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-benzamide Openeye Name: N-[2-[4-(isopropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-benzamide CAS Name: N-[2-[6-(methylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-phenylbenzamide IUPAC Name: N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenylbenzamide Traditional Name: N-[2-[4-(isopropylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-benzamide Formula: C24H26N6OS MolecularWeight: 446.56784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SC

Isomeric SMILES

CC(C)NC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C24H26N6OS/c1-16(2)27-21-20-15-26-30(22(20)29-24(28-21)32-3)14-13-25-23(31)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16H,13-14H2,1-3H3,(H,25,31)(H,27,28,29)