4-[4-azanyl-3-(4-pyrimidin-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one

Systemtic Name: 4-[4-azanyl-3-(4-pyrimidin-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Openeye Name: 4-[4-amino-3-(4-pyrimidin-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone CAS Name: 4-[4-amino-3-[4-(2-pyrimidinyloxy)phenyl]-1-pyrazolo[3,4-d]pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[4-amino-3-(4-pyrimidin-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Traditional Name: 4-[4-amino-3-[4-(2-pyrimidyloxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone Formula: C21H19N7O2 MolecularWeight: 401.42126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=NC=CC=N5)C(=NC=N3)N

Isomeric SMILES

C1CC(=O)CCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=NC=CC=N5)C(=NC=N3)N

InChI

InChI=1S/C21H19N7O2/c22-19-17-18(13-2-8-16(9-3-13)30-21-23-10-1-11-24-21)27-28(20(17)26-12-25-19)14-4-6-15(29)7-5-14/h1-3,8-12,14H,4-7H2,(H2,22,25,26)