N4-cycloheptyl-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H20IN5O2 MolecularWeight: 453.27747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

InChI

InChI=1S/C17H20IN5O2/c18-12-7-9-14(10-8-12)22-17-15(23(24)25)16(19-11-20-17)21-13-5-3-1-2-4-6-13/h7-11,13H,1-6H2,(H2,19,20,21,22)