1-[(3,6-dicyclopropyl-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]-3-phenyl-thiourea

Systemtic Name: 1-[(3,6-dicyclopropyl-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[(3,6-dicyclopropyl-1-methyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-3-phenyl-thiourea CAS Name: 1-[[(3,6-dicyclopropyl-1-methyl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]-3-phenylthiourea IUPAC Name: 1-[(3,6-dicyclopropyl-1-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-3-phenylthiourea Traditional Name: 1-[(3,6-dicyclopropyl-1-methyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-3-phenyl-thiourea Formula: C21H22N6OS MolecularWeight: 406.50398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC(=N2)C3CC3)C(=O)NNC(=S)NC4=CC=CC=C4)C(=N1)C5CC5

Isomeric SMILES

CN1C2=C(C(=CC(=N2)C3CC3)C(=O)NNC(=S)NC4=CC=CC=C4)C(=N1)C5CC5

InChI

InChI=1S/C21H22N6OS/c1-27-19-17(18(26-27)13-9-10-13)15(11-16(23-19)12-7-8-12)20(28)24-25-21(29)22-14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,24,28)(H2,22,25,29)