ethyl 4-azanyl-2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(2-methoxycarbonyl-3-furyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-methoxycarbonyl-3-furanyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-carbomethoxy-3-furyl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(OC=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(OC=C2)C(=O)OC

InChI

InChI=1S/C14H15N3O5S/c1-3-21-12(18)9-6-16-14(17-11(9)15)23-7-8-4-5-22-10(8)13(19)20-2/h4-6H,3,7H2,1-2H3,(H2,15,16,17)