4-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-pyrimidine

Systemtic Name: 4-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-pyrimidine Openeye Name: 4-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-pyrimidine CAS Name: 4-methyl-2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]pyrimidine IUPAC Name: 4-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylpyrimidine Traditional Name: 4-methyl-2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]pyrimidine Formula: C15H16N4O4S2 MolecularWeight: 380.44194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4S2/c1-11-6-7-16-15(17-11)24-14-5-4-12(10-13(14)19(20)21)25(22,23)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3