2-[[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl-ethylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl-ethylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N6O3/c1-4-21(10-22-12(3)16(23(25)26)11(2)20-22)9-15-18-14-8-6-5-7-13(14)17(24)19-15/h5-8H,4,9-10H2,1-3H3,(H,18,19,24)