N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H22N8O2 MolecularWeight: 430.46248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4

InChI

InChI=1S/C22H22N8O2/c31-30(32)20-21(25-11-6-13-28-14-12-23-17-28)26-16-27-22(20)29(19-9-4-5-10-24-19)15-18-7-2-1-3-8-18/h1-5,7-10,12,14,16-17H,6,11,13,15H2,(H,25,26,27)