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

Systemtic Name: 1-[(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]-3-(3-phenylpropyl)thiourea Openeye Name: 1-[(4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]-3-(3-phenylpropyl)thiourea CAS Name: 1-[[[1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]-3-(3-phenylpropyl)thiourea IUPAC Name: 1-[(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-3-(3-phenylpropyl)thiourea Traditional Name: 1-[[4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-3-(3-phenylpropyl)thiourea Formula: C22H28N6OS2 MolecularWeight: 456.62732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NNC(=S)NCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NNC(=S)NCCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N6OS2/c1-14(2)31-19-17(13-24-20-18(19)15(3)27-28(20)4)21(29)25-26-22(30)23-12-8-11-16-9-6-5-7-10-16/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,25,29)(H2,23,26,30)