ethyl 4-azanyl-2-[4-ethoxy-2,4-bis(oxidanylidene)butyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[4-ethoxy-2,4-bis(oxidanylidene)butyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(4-ethoxy-2,4-dioxo-butyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-ethoxy-2,4-dioxobutyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(4-ethoxy-2,4-dioxobutyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-ethoxy-2,4-diketo-butyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC=C(C(=N1)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC=C(C(=N1)N)C(=O)OCC

InChI

InChI=1S/C13H17N3O5S/c1-3-20-10(18)5-8(17)7-22-13-15-6-9(11(14)16-13)12(19)21-4-2/h6H,3-5,7H2,1-2H3,(H2,14,15,16)