ethyl 4-azanyl-2-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(5-methyl-2-thienyl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C14H15N3O3S2/c1-3-20-13(19)9-6-16-14(17-12(9)15)21-7-10(18)11-5-4-8(2)22-11/h4-6H,3,7H2,1-2H3,(H2,15,16,17)