4-[4-chloranyl-2-(1H-pyrazol-5-yl)phenoxy]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-chloranyl-2-(1H-pyrazol-5-yl)phenoxy]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C18H18ClN7O3 MolecularWeight: 415.83362

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)Cl)C4=CC=NN4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)Cl)C4=CC=NN4)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN7O3/c1-24-6-8-25(9-7-24)17-16(26(27)28)18(21-11-20-17)29-15-3-2-12(19)10-13(15)14-4-5-22-23-14/h2-5,10-11H,6-9H2,1H3,(H,22,23)