2-[2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[5-[(2-amino-7H-purin-6-yl)thio]-1-oxopentyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[5-[(2-amino-7H-purin-6-yl)thio]pentanoylamino]acetyl]amino]acetic acid Formula: C14H19N7O4S MolecularWeight: 381.41016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)N)SCCCCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)N)SCCCCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C14H19N7O4S/c15-14-20-12-11(18-7-19-12)13(21-14)26-4-2-1-3-8(22)16-5-9(23)17-6-10(24)25/h7H,1-6H2,(H,16,22)(H,17,23)(H,24,25)(H3,15,18,19,20,21)