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

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-N4-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H20IN5O2 MolecularWeight: 465.28817

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

InChI

InChI=1S/C18H20IN5O2/c19-14-6-8-15(9-7-14)23-18-16(24(25)26)17(21-12-22-18)20-11-10-13-4-2-1-3-5-13/h4,6-9,12H,1-3,5,10-11H2,(H2,20,21,22,23)