6-(4-chlorophenyl)sulfanyl-N,N-bis(2-methylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N,N-bis(2-methylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N,N-diisobutyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N,N-bis(2-methylpropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-diisobutyl-amine Formula: C18H23ClN4O2S MolecularWeight: 394.91882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C)C)C1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN4O2S/c1-12(2)9-22(10-13(3)4)17-16(23(24)25)18(21-11-20-17)26-15-7-5-14(19)6-8-15/h5-8,11-13H,9-10H2,1-4H3