3-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]propan-1-one

Systemtic Name: 3-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]propan-1-one Openeye Name: 3-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]propan-1-one CAS Name: 3-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]-1-propanone IUPAC Name: 3-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]propan-1-one Traditional Name: 3-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]propan-1-one Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)CCC2=CC=CC=C2)NC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CC(CCC1C(=O)CCC2=CC=CC=C2)NC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H23N5O/c26-18(11-6-14-4-2-1-3-5-14)15-7-9-16(10-8-15)24-19-17-12-23-25-20(17)22-13-21-19/h1-5,12-13,15-16H,6-11H2,(H2,21,22,23,24,25)