2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; methyl (2R)-2-azanyl-3-sulfanyl-propanoate

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; methyl (2R)-2-azanyl-3-sulfanyl-propanoate Openeye Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; methyl (2R)-2-amino-3-sulfanyl-propanoate CAS Name: (2R)-2-amino-3-mercaptopropanoic acid methyl ester; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; methyl (2R)-2-amino-3-sulfanylpropanoate Traditional Name: (2R)-2-amino-3-mercapto-propionic acid methyl ester; orotic acid Formula: C9H13N3O6S MolecularWeight: 291.28102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)N.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

COC(=O)[C@H](CS)N.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C5H4N2O4.C4H9NO2S/c8-3-1-2(4(9)10)6-5(11)7-3;1-7-4(6)3(5)2-8/h1H,(H,9,10)(H2,6,7,8,11);3,8H,2,5H2,1H3/t;3-/m.0/s1