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

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-[2-(1-cyclohexenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-[2-(cyclohexen-1-yl)ethyl]amine Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3)Cl

InChI

InChI=1S/C19H21ClN4O3/c1-13-11-15(7-8-16(13)20)27-19-17(24(25)26)18(22-12-23-19)21-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,21,22,23)