2-[4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propoxy]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propoxy]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxy]-1-piperidyl]acetic acid CAS Name: 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxy]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxy]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propoxy]piperidino]acetic acid Formula: C19H30N6O5 MolecularWeight: 422.4787

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCOC3CCN(CC3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCOC3CCN(CC3)CC(=O)O

InChI

InChI=1S/C19H30N6O5/c1-2-3-10-30-18-22-16(20)15-17(23-18)25(19(28)21-15)7-4-11-29-13-5-8-24(9-6-13)12-14(26)27/h13H,2-12H2,1H3,(H,21,28)(H,26,27)(H2,20,22,23)