N6-(3-imidazol-1-ylpropyl)-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(p-anisidino)pyrimidin-4-yl]amine Formula: C17H19N7O3 MolecularWeight: 369.37786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O3/c1-27-14-5-3-13(4-6-14)22-17-15(24(25)26)16(20-11-21-17)19-7-2-9-23-10-8-18-12-23/h3-6,8,10-12H,2,7,9H2,1H3,(H2,19,20,21,22)