6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-[2-(1-cyclohexenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-[2-(cyclohexen-1-yl)ethyl]amine Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

InChI

InChI=1S/C20H23ClN4O3/c1-13-10-16(11-14(2)17(13)21)28-20-18(25(26)27)19(23-12-24-20)22-9-8-15-6-4-3-5-7-15/h6,10-12H,3-5,7-9H2,1-2H3,(H,22,23,24)