N4-(2-bromophenyl)-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-bromophenyl)-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-bromophenyl)-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-bromophenyl)-N6-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-bromophenyl)-6-N-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-bromoanilino)-5-nitro-pyrimidin-4-yl]-(4-butoxyphenyl)amine Formula: C20H20BrN5O3 MolecularWeight: 458.3085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN5O3/c1-2-3-12-29-15-10-8-14(9-11-15)24-19-18(26(27)28)20(23-13-22-19)25-17-7-5-4-6-16(17)21/h4-11,13H,2-3,12H2,1H3,(H2,22,23,24,25)