N4-(3-bromophenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C14H16BrN5O3 MolecularWeight: 382.21254

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Br

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H16BrN5O3/c1-23-7-3-6-16-13-12(20(21)22)14(18-9-17-13)19-11-5-2-4-10(15)8-11/h2,4-5,8-9H,3,6-7H2,1H3,(H2,16,17,18,19)