2-azanyl-4-methylsulfanyl-butanoic acid; 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 2-amino-4-(methylthio)butanoic acid; 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 2-amino-4-(methylthio)butyric acid; 1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-5-methyl-pyrimidine-2,4-quinone Formula: C15H25N3O7S MolecularWeight: 391.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O.CSCCC(C(=O)O)N

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O.CSCCC(C(=O)O)N

InChI

InChI=1S/C10H14N2O5.C5H11NO2S/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8;1-9-3-2-4(6)5(7)8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16);4H,2-3,6H2,1H3,(H,7,8)