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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C18H21N7O2/c1-23(12-15-6-3-2-4-7-15)18-16(25(26)27)17(21-13-22-18)20-8-5-10-24-11-9-19-14-24/h2-4,6-7,9,11,13-14H,5,8,10,12H2,1H3,(H,20,21,22)