2-acetamido-5-(7H-purin-6-ylsulfanyl)pentanoic acid

Systemtic Name: 2-acetamido-5-(7H-purin-6-ylsulfanyl)pentanoic acid Openeye Name: 2-acetamido-5-(7H-purin-6-ylsulfanyl)pentanoic acid CAS Name: 2-acetamido-5-(7H-purin-6-ylthio)pentanoic acid IUPAC Name: 2-acetamido-5-(7H-purin-6-ylsulfanyl)pentanoic acid Traditional Name: 2-acetamido-5-(7H-purin-6-ylthio)valeric acid Formula: C12H15N5O3S MolecularWeight: 309.3442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCSC1=NC=NC2=C1NC=N2)C(=O)O

Isomeric SMILES

CC(=O)NC(CCCSC1=NC=NC2=C1NC=N2)C(=O)O

InChI

InChI=1S/C12H15N5O3S/c1-7(18)17-8(12(19)20)3-2-4-21-11-9-10(14-5-13-9)15-6-16-11/h5-6,8H,2-4H2,1H3,(H,17,18)(H,19,20)(H,13,14,15,16)