3-tert-butyl-5-(2-ethoxyphenyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-tert-butyl-5-(2-ethoxyphenyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-(2-ethoxyphenyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-(2-ethoxyphenyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-(2-ethoxyphenyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-1-methyl-5-o-phenetyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C

InChI

InChI=1S/C18H22N4O2/c1-6-24-12-10-8-7-9-11(12)16-19-13-14(17(23)20-16)22(5)21-15(13)18(2,3)4/h7-10H,6H2,1-5H3,(H,19,20,23)