methyl 6-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)carbamothioylamino]hexanoate CAS Name: 6-[[[(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamothioylamino]hexanoate Traditional Name: 6-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N5O2S MolecularWeight: 363.4777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H25N5O2S/c1-12(2)22-16-13(10-20-22)9-14(11-19-16)21-17(25)18-8-6-4-5-7-15(23)24-3/h9-12H,4-8H2,1-3H3,(H2,18,21,25)