N6-[2,3-bis(chloranyl)phenyl]-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2,3-bis(chloranyl)phenyl]-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-N6-(2,3-dichlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-N6-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-6-N-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclohexyl-[6-(2,3-dichloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H17Cl2N5O2 MolecularWeight: 382.24448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N5O2/c17-11-7-4-8-12(13(11)18)22-16-14(23(24)25)15(19-9-20-16)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,19,20,21,22)