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

Systemtic Name: 1-(1-adamantyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC=CC(=C4)CSC5=NC=NC6=C5C=NN6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC=CC(=C4)CSC5=NC=NC6=C5C=NN6

InChI

InChI=1S/C23H26N6OS/c30-22(28-23-8-15-4-16(9-23)6-17(5-15)10-23)27-18-3-1-2-14(7-18)12-31-21-19-11-26-29-20(19)24-13-25-21/h1-3,7,11,13,15-17H,4-6,8-10,12H2,(H2,27,28,30)(H,24,25,26,29)