4-[1H-imidazo[2,1-f]purin-7-ylmethyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid

Systemtic Name: 4-[1H-imidazo[2,1-f]purin-7-ylmethyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid Openeye Name: 4-[(4-hydroxy-4-oxo-butyl)-(1H-imidazo[2,1-f]purin-7-ylmethyl)amino]butanoic acid CAS Name: 4-[(4-hydroxy-4-oxobutyl)-(1H-imidazo[2,1-f]purin-7-ylmethyl)amino]butanoic acid IUPAC Name: 4-[(4-hydroxy-4-oxobutyl)-(1H-imidazo[2,1-f]purin-7-ylmethyl)amino]butanoic acid Traditional Name: 4-[(4-hydroxy-4-keto-butyl)-(1H-imidazo[2,1-f]purin-7-ylmethyl)amino]butyric acid Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N2C=NC3=C(C2=N1)NC=N3)CN(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

C1=C(N2C=NC3=C(C2=N1)NC=N3)CN(CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C16H20N6O4/c23-12(24)3-1-5-21(6-2-4-13(25)26)8-11-7-17-16-14-15(19-9-18-14)20-10-22(11)16/h7,9-10H,1-6,8H2,(H,18,19)(H,23,24)(H,25,26)