1-tert-butyl-6-(3-methoxypyridin-4-yl)-3-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-tert-butyl-6-(3-methoxypyridin-4-yl)-3-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-6-(3-methoxy-4-pyridyl)-3-(4-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-6-(3-methoxy-4-pyridinyl)-3-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-tert-butyl-6-(3-methoxypyridin-4-yl)-3-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-6-(3-methoxy-4-pyridyl)-3-(4-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=NC(=NC(=O)C2=C(N1)CC3=CC=NC=C3)C4=C(C=NC=C4)OC

Isomeric SMILES

CC(C)(C)N1C2=NC(=NC(=O)C2=C(N1)CC3=CC=NC=C3)C4=C(C=NC=C4)OC

InChI

InChI=1S/C21H22N6O2/c1-21(2,3)27-19-17(15(26-27)11-13-5-8-22-9-6-13)20(28)25-18(24-19)14-7-10-23-12-16(14)29-4/h5-10,12,26H,11H2,1-4H3