ethyl 4-azanyl-2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(3-ethoxy-3-oxo-propyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3-ethoxy-3-oxopropyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3-ethoxy-3-oxopropyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-ethoxy-3-keto-propyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC=C(C(=N1)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCSC1=NC=C(C(=N1)N)C(=O)OCC

InChI

InChI=1S/C12H17N3O4S/c1-3-18-9(16)5-6-20-12-14-7-8(10(13)15-12)11(17)19-4-2/h7H,3-6H2,1-2H3,(H2,13,14,15)