6-(3,5-dimethylpyrazol-1-yl)-N-methyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-methyl-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-methyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H18N6O2 MolecularWeight: 338.36382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N6O2/c1-12-9-13(2)22(20-12)17-15(23(24)25)16(18-11-19-17)21(3)10-14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3