4-azanyl-2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[5-[(2-amino-7H-purin-6-yl)thio]-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[5-[(2-amino-7H-purin-6-yl)thio]pentanoylamino]-4-keto-butyric 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)NC(CC(=O)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H19N7O4S/c15-8(22)5-7(13(24)25)19-9(23)3-1-2-4-26-12-10-11(18-6-17-10)20-14(16)21-12/h6-7H,1-5H2,(H2,15,22)(H,19,23)(H,24,25)(H3,16,17,18,20,21)