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

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-[(4-fluorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-[(4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C18H14ClFN4O3 MolecularWeight: 388.780163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C18H14ClFN4O3/c1-11-8-14(6-7-15(11)19)27-18-16(24(25)26)17(22-10-23-18)21-9-12-2-4-13(20)5-3-12/h2-8,10H,9H2,1H3,(H,21,22,23)