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

Systemtic Name: ethyl 4-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-amino-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-amino-2-oxoethyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-amino-2-oxoethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-amino-2-keto-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N

InChI

InChI=1S/C9H12N4O3S/c1-2-16-8(15)5-3-12-9(13-7(5)11)17-4-6(10)14/h3H,2,4H2,1H3,(H2,10,14)(H2,11,12,13)