N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C17H26N8O2 MolecularWeight: 374.44074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C17H26N8O2/c26-25(27)15-16(19-5-4-10-24-11-6-18-14-24)21-13-22-17(15)20-7-12-23-8-2-1-3-9-23/h6,11,13-14H,1-5,7-10,12H2,(H2,19,20,21,22)