6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C17H21ClN6O3 MolecularWeight: 392.84004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

InChI

InChI=1S/C17H21ClN6O3/c1-11-8-13(9-12(2)14(11)18)27-17-15(24(25)26)16(19-10-20-17)21-23-6-4-22(3)5-7-23/h8-10H,4-7H2,1-3H3,(H,19,20,21)