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

Systemtic Name: 1-cyclopentyl-3-ethyl-6-[(2-nitrophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-cyclopentyl-3-ethyl-6-[(2-nitrophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-cyclopentyl-3-ethyl-6-[(2-nitrophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-cyclopentyl-3-ethyl-6-[(2-nitrophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-cyclopentyl-3-ethyl-6-(2-nitrobenzyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)CC3=CC=CC=C3[N+](=O)[O-])N(N1)C4CCCC4

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)CC3=CC=CC=C3[N+](=O)[O-])N(N1)C4CCCC4

InChI

InChI=1S/C19H21N5O3/c1-2-14-17-18(23(22-14)13-8-4-5-9-13)20-16(21-19(17)25)11-12-7-3-6-10-15(12)24(26)27/h3,6-7,10,13,22H,2,4-5,8-9,11H2,1H3