1-cyclohexyl-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea

Systemtic Name: 1-cyclohexyl-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Openeye Name: 1-cyclohexyl-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea CAS Name: 1-cyclohexyl-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea IUPAC Name: 1-cyclohexyl-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Traditional Name: 1-cyclohexyl-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C19H22N6OS/c26-19(23-14-6-2-1-3-7-14)24-15-8-4-5-13(9-15)11-27-18-16-10-22-25-17(16)20-12-21-18/h4-5,8-10,12,14H,1-3,6-7,11H2,(H2,23,24,26)(H,20,21,22,25)