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

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-p-anisyl-amine Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4/c1-12-8-16(9-13(2)17(12)21)29-20-18(25(26)27)19(23-11-24-20)22-10-14-4-6-15(28-3)7-5-14/h4-9,11H,10H2,1-3H3,(H,22,23,24)