N2-cyclohexyl-N4,6-dimethyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: N2-cyclohexyl-N4,6-dimethyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: N2-cyclohexyl-N4,6-dimethyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine CAS Name: N2-cyclohexyl-N4,6-dimethyl-5-nitro-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine Traditional Name: [2-(cyclohexylamino)-6-methyl-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2CCCCC2)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2CCCCC2)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c1-13-16(23(24)25)17(22(2)15-11-7-4-8-12-15)21-18(19-13)20-14-9-5-3-6-10-14/h4,7-8,11-12,14H,3,5-6,9-10H2,1-2H3,(H,19,20,21)