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

Systemtic Name: 2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]ethanoic acid Openeye Name: 2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]acetic acid CAS Name: 2-[[5-[(2-amino-7H-purin-6-yl)thio]-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]acetic acid Traditional Name: 2-[5-[(2-amino-7H-purin-6-yl)thio]pentanoylamino]acetic acid Formula: C12H16N6O3S MolecularWeight: 324.35884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N6O3S/c13-12-17-10-9(15-6-16-10)11(18-12)22-4-2-1-3-7(19)14-5-8(20)21/h6H,1-5H2,(H,14,19)(H,20,21)(H3,13,15,16,17,18)