6-azanyl-1,3-dimethyl-5-[(1R,2R)-2-nitro-1-thiophen-2-yl-propyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[(1R,2R)-2-nitro-1-thiophen-2-yl-propyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[(1R,2R)-2-nitro-1-(2-thienyl)propyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[(1R,2R)-2-nitro-1-thiophen-2-ylpropyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[(1R,2R)-2-nitro-1-thiophen-2-ylpropyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[(1R,2R)-2-nitro-1-(2-thienyl)propyl]pyrimidine-2,4-quinone Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)C2=C(N(C(=O)N(C2=O)C)C)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)C2=C(N(C(=O)N(C2=O)C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c1-7(17(20)21)9(8-5-4-6-22-8)10-11(14)15(2)13(19)16(3)12(10)18/h4-7,9H,14H2,1-3H3/t7-,9-/m1/s1