6-(3-methyl-5-phenyl-pyrazol-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]pyrimidin-4-amine

Systemtic Name: 6-(3-methyl-5-phenyl-pyrazol-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]pyrimidin-4-amine Openeye Name: 6-(3-methyl-5-phenyl-pyrazol-1-yl)-N-[(E)-(4-nitrophenyl)methyleneamino]pyrimidin-4-amine CAS Name: 6-(3-methyl-5-phenyl-1-pyrazolyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-4-pyrimidinamine IUPAC Name: 6-(3-methyl-5-phenylpyrazol-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]pyrimidin-4-amine Traditional Name: [6-(3-methyl-5-phenyl-pyrazol-1-yl)pyrimidin-4-yl]-[(E)-(4-nitrobenzylidene)amino]amine Formula: C21H17N7O2 MolecularWeight: 399.40538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=NC=N3)NN=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=NC=N3)N/N=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N7O2/c1-15-11-19(17-5-3-2-4-6-17)27(26-15)21-12-20(22-14-23-21)25-24-13-16-7-9-18(10-8-16)28(29)30/h2-14H,1H3,(H,22,23,25)/b24-13+