N4-(4-bromophenyl)-N6-butyl-5-nitroso-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-bromophenyl)-N6-butyl-5-nitroso-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-bromophenyl)-N6-butyl-5-nitroso-pyrimidine-2,4,6-triamine CAS Name: N4-(4-bromophenyl)-N6-butyl-5-nitrosopyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-bromophenyl)-6-N-butyl-5-nitrosopyrimidine-2,4,6-triamine Traditional Name: [2-amino-6-(4-bromoanilino)-5-nitroso-pyrimidin-4-yl]-butyl-amine Formula: C14H17BrN6O MolecularWeight: 365.22838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=C1N=O)NC2=CC=C(C=C2)Br)N

Isomeric SMILES

CCCCNC1=NC(=NC(=C1N=O)NC2=CC=C(C=C2)Br)N

InChI

InChI=1S/C14H17BrN6O/c1-2-3-8-17-12-11(21-22)13(20-14(16)19-12)18-10-6-4-9(15)5-7-10/h4-7H,2-3,8H2,1H3,(H4,16,17,18,19,20)