4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C17H20ClN5O3/c1-11-8-13(9-12(2)14(11)18)26-17-15(23(24)25)16(19-10-20-17)22-6-4-21(3)5-7-22/h8-10H,4-7H2,1-3H3