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

Systemtic Name: ethyl 4-azanyl-2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3-ethoxycarbonyl-2-furyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3-ethoxycarbonyl-2-furanyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-carbethoxy-2-furyl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C15H17N3O5S/c1-3-21-13(19)9-5-6-23-11(9)8-24-15-17-7-10(12(16)18-15)14(20)22-4-2/h5-7H,3-4,8H2,1-2H3,(H2,16,17,18)