ethyl 4-azanyl-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C15H17N3O3S2/c1-4-21-14(20)11-6-17-15(18-13(11)16)22-7-12(19)10-5-8(2)23-9(10)3/h5-6H,4,7H2,1-3H3,(H2,16,17,18)