2-[(6-azanylpyridin-3-yl)methyl]-5-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3-sulfanyl-pentanoic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-(2,4-diketo-1H-pyrimidin-5-yl)-3-mercapto-valeric acid Formula: C15H18N4O4S MolecularWeight: 350.39282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1CC(C(CCC2=CNC(=O)NC2=O)S)C(=O)O)N

Isomeric SMILES

C1=CC(=NC=C1CC(C(CCC2=CNC(=O)NC2=O)S)C(=O)O)N

InChI

InChI=1S/C15H18N4O4S/c16-12-4-1-8(6-17-12)5-10(14(21)22)11(24)3-2-9-7-18-15(23)19-13(9)20/h1,4,6-7,10-11,24H,2-3,5H2,(H2,16,17)(H,21,22)(H2,18,19,20,23)