2-[4-(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[[1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C27H36N6O2S MolecularWeight: 508.67874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)N3CCCN(CC3)CC(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)N3CCCN(CC3)CC(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H36N6O2S/c1-19(2)36-25-22(17-29-26-24(25)20(3)30-31(26)4)27(35)33-14-8-13-32(15-16-33)18-23(34)28-12-11-21-9-6-5-7-10-21/h5-7,9-10,17,19H,8,11-16,18H2,1-4H3,(H,28,34)