1-tert-butyl-3-(phenylmethyl)-6-pyridin-4-yl-5,7a-dihydro-3aH-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-tert-butyl-3-(phenylmethyl)-6-pyridin-4-yl-5,7a-dihydro-3aH-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzyl-1-tert-butyl-6-(4-pyridyl)-5,7a-dihydro-3aH-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-3-(phenylmethyl)-6-pyridin-4-yl-5,7a-dihydro-3aH-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-benzyl-1-tert-butyl-6-pyridin-4-yl-5,7a-dihydro-3aH-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-benzyl-1-tert-butyl-6-(4-pyridyl)-5,7a-dihydro-3aH-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H23N5O MolecularWeight: 361.44022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(C(=N1)CC3=CC=CC=C3)C(=O)NC(=N2)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)N1C2C(C(=N1)CC3=CC=CC=C3)C(=O)NC(=N2)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O/c1-21(2,3)26-19-17(16(25-26)13-14-7-5-4-6-8-14)20(27)24-18(23-19)15-9-11-22-12-10-15/h4-12,17,19H,13H2,1-3H3,(H,23,24,27)