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

Systemtic Name: 1-tert-butyl-3-[(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[[1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[[4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl]amino]thiourea Formula: C17H26N6OS2 MolecularWeight: 394.55794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NNC(=S)NC(C)(C)C)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NNC(=S)NC(C)(C)C)C

InChI

InChI=1S/C17H26N6OS2/c1-9(2)26-13-11(8-18-14-12(13)10(3)22-23(14)7)15(24)20-21-16(25)19-17(4,5)6/h8-9H,1-7H3,(H,20,24)(H2,19,21,25)