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

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[(1R)-2-nitro-1-thiophen-2-yl-ethyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[(1R)-2-nitro-1-(2-thienyl)ethyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[(1R)-2-nitro-1-thiophen-2-ylethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[(1R)-2-nitro-1-thiophen-2-ylethyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[(1R)-2-nitro-1-(2-thienyl)ethyl]pyrimidine-2,4-quinone Formula: C12H14N4O4S MolecularWeight: 310.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(C[N+](=O)[O-])C2=CC=CS2)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)[C@H](C[N+](=O)[O-])C2=CC=CS2)N

InChI

InChI=1S/C12H14N4O4S/c1-14-10(13)9(11(17)15(2)12(14)18)7(6-16(19)20)8-4-3-5-21-8/h3-5,7H,6,13H2,1-2H3/t7-/m1/s1