4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidine Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N7O3/c1-14-12-15(2)26(23-14)20-18(27(28)29)19(21-13-22-20)25-10-8-24(9-11-25)16-4-6-17(30-3)7-5-16/h4-7,12-13H,8-11H2,1-3H3