2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]quinazolin-4-amine

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]quinazolin-4-amine Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]quinazolin-4-amine CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-quinazolinamine IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]quinazolin-4-amine Traditional Name: [2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]quinazolin-4-yl]amine Formula: C14H14N6O2 MolecularWeight: 298.29996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC3=CC=CC=C3C(=N2)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NC3=CC=CC=C3C(=N2)N)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O2/c1-8-13(20(21)22)9(2)19(18-8)7-12-16-11-6-4-3-5-10(11)14(15)17-12/h3-6H,7H2,1-2H3,(H2,15,16,17)