6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-methyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-methyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-chloro-3,5-dimethyl-phenoxy)-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-methyl-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-chloro-3,5-dimethylphenoxy)-N-methyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4O3/c1-13-9-16(10-14(2)17(13)21)28-20-18(25(26)27)19(22-12-23-20)24(3)11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3