(3S)-1-(2-methoxy-4-nitro-phenyl)-3-(4-methylpyrimidin-2-yl)sulfanyl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(2-methoxy-4-nitro-phenyl)-3-(4-methylpyrimidin-2-yl)sulfanyl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2-methoxy-4-nitro-phenyl)-3-(4-methylpyrimidin-2-yl)sulfanyl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(2-methoxy-4-nitrophenyl)-3-[(4-methyl-2-pyrimidinyl)thio]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2-methoxy-4-nitrophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(2-methoxy-4-nitro-phenyl)-3-[(4-methylpyrimidin-2-yl)thio]pyrrolidine-2,5-quinone Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2CC(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NC(=NC=C1)S[C@H]2CC(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H14N4O5S/c1-9-5-6-17-16(18-9)26-13-8-14(21)19(15(13)22)11-4-3-10(20(23)24)7-12(11)25-2/h3-7,13H,8H2,1-2H3/t13-/m0/s1