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

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C16H19ClN6O3 MolecularWeight: 378.81346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C)Cl

InChI

InChI=1S/C16H19ClN6O3/c1-11-9-12(3-4-13(11)17)26-16-14(23(24)25)15(18-10-19-16)20-22-7-5-21(2)6-8-22/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20)