3-methyl-1-[(4-nitrophenyl)methyl]-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-1-[(4-nitrophenyl)methyl]-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-1-[(4-nitrophenyl)methyl]-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-1-[(4-nitrophenyl)methyl]-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-1-[(4-nitrophenyl)methyl]-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-1-(4-nitrobenzyl)-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H14N6O3 MolecularWeight: 362.34216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O3/c1-11-15-17(20-16(21-18(15)25)13-6-8-19-9-7-13)23(22-11)10-12-2-4-14(5-3-12)24(26)27/h2-9,22H,10H2,1H3