2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-thienyl]acetic acid CAS Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]thiophen-2-yl]acetic acid Traditional Name: 2-[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-thienyl]acetic acid Formula: C16H19N5O4S MolecularWeight: 377.41816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(S3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(S3)CC(=O)O

InChI

InChI=1S/C16H19N5O4S/c1-2-3-6-25-15-19-13(17)12-14(20-15)21(16(24)18-12)8-10-5-4-9(26-10)7-11(22)23/h4-5H,2-3,6-8H2,1H3,(H,18,24)(H,22,23)(H2,17,19,20)