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

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-phenethylpyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-phenethylpyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O2/c26-25(27)16-17(20-8-4-11-24-12-10-19-14-24)22-13-23-18(16)21-9-7-15-5-2-1-3-6-15/h1-3,5-6,10,12-14H,4,7-9,11H2,(H2,20,21,22,23)