N2-[(4-chlorophenyl)methyl]-N4-cyclohexyl-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-N4-cyclohexyl-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[(4-chlorophenyl)methyl]-N4-cyclohexyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(4-chlorophenyl)methyl]-N4-cyclohexyl-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-4-N-cyclohexyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-cyclohexyl-amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN6O2/c18-12-8-6-11(7-9-12)10-20-17-22-15(19)14(24(25)26)16(23-17)21-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H4,19,20,21,22,23)