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

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-methyl-N-(1-methyl-4-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3CCN(CC3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3CCN(CC3)C)Cl

InChI

InChI=1S/C18H22ClN5O3/c1-12-10-14(4-5-15(12)19)27-18-16(24(25)26)17(20-11-21-18)23(3)13-6-8-22(2)9-7-13/h4-5,10-11,13H,6-9H2,1-3H3