1-(1-adamantyl)-3-[(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]thiourea CAS Name: 1-(1-adamantyl)-3-[[[1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]thiourea Traditional Name: 1-(1-adamantyl)-3-[[4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl]amino]thiourea Formula: C23H32N6OS2 MolecularWeight: 472.66978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NNC(=S)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NNC(=S)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H32N6OS2/c1-12(2)32-19-17(11-24-20-18(19)13(3)28-29(20)4)21(30)26-27-22(31)25-23-8-14-5-15(9-23)7-16(6-14)10-23/h11-12,14-16H,5-10H2,1-4H3,(H,26,30)(H2,25,27,31)