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

Systemtic Name: N4-(4-butoxyphenyl)-N6-butyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-N6-butyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-butyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-butyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-butyl-amine Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C18H25N5O3/c1-3-5-11-19-17-16(23(24)25)18(21-13-20-17)22-14-7-9-15(10-8-14)26-12-6-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H2,19,20,21,22)