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

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(4-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N-[(4-chlorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-[(4-chlorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-[(4-chlorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H16Cl2N4O3 MolecularWeight: 419.26134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16Cl2N4O3/c1-11-7-15(8-12(2)16(11)21)28-19-17(25(26)27)18(23-10-24-19)22-9-13-3-5-14(20)6-4-13/h3-8,10H,9H2,1-2H3,(H,22,23,24)