N4-[2-(cyclohexen-1-yl)ethyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2-(cyclohexen-1-yl)ethyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-(cyclohexen-1-yl)ethyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-(1-cyclohexenyl)ethyl]-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H25N7O2 MolecularWeight: 371.4368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N7O2/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/h5,10,12-14H,1-4,6-9,11H2,(H2,20,21,22,23)