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

Systemtic Name: N6-butyl-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(p-anisidino)pyrimidin-4-yl]amine Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O3/c1-3-4-9-16-14-13(20(21)22)15(18-10-17-14)19-11-5-7-12(23-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H2,16,17,18,19)