N-(4-bromophenyl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-bromophenyl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-bromophenyl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-bromophenyl)-6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-bromophenyl)-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-bromophenyl)-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H15BrN4O3/c1-11-3-8-15(9-12(11)2)26-18-16(23(24)25)17(20-10-21-18)22-14-6-4-13(19)5-7-14/h3-10H,1-2H3,(H,20,21,22)