4,5,6-trimethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-pyrimidine

Systemtic Name: 4,5,6-trimethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-pyrimidine Openeye Name: 4,5,6-trimethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-pyrimidine CAS Name: 4,5,6-trimethyl-2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]pyrimidine IUPAC Name: 4,5,6-trimethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylpyrimidine Traditional Name: 4,5,6-trimethyl-2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]pyrimidine Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N4O4S2/c1-11-12(2)18-17(19-13(11)3)26-16-7-6-14(10-15(16)21(22)23)27(24,25)20-8-4-5-9-20/h6-7,10H,4-5,8-9H2,1-3H3