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

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H18N6O3/c1-14-12-15(2)26(25-14)21-19(27(28)29)20(22-13-23-21)24-16-8-10-18(11-9-16)30-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23,24)