6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N-(1-phenylethyl)-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(1-phenylethyl)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-])NC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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