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

Systemtic Name: 4-[4-azanyl-3-(4-azanyl-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Openeye Name: 4-[4-amino-3-(4-amino-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone CAS Name: 4-[4-amino-3-(4-amino-3-methoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[4-amino-3-(4-amino-3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Traditional Name: 4-[4-amino-3-(4-amino-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(=O)CC4)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(=O)CC4)N

InChI

InChI=1S/C18H20N6O2/c1-26-14-8-10(2-7-13(14)19)16-15-17(20)21-9-22-18(15)24(23-16)11-3-5-12(25)6-4-11/h2,7-9,11H,3-6,19H2,1H3,(H2,20,21,22)