4,6-dimethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-pyrimidine

Systemtic Name: 4,6-dimethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-pyrimidine Openeye Name: 4,6-dimethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-pyrimidine CAS Name: 4,6-dimethyl-2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]pyrimidine IUPAC Name: 4,6-dimethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylpyrimidine Traditional Name: 4,6-dimethyl-2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]pyrimidine Formula: C16H18N4O4S2 MolecularWeight: 394.46852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N4O4S2/c1-11-9-12(2)18-16(17-11)25-15-6-5-13(10-14(15)20(21)22)26(23,24)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3