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

Systemtic Name: 3-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]piperidin-1-yl]propanoic acid Openeye Name: 3-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidyl]propanoic acid CAS Name: 3-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidinyl]propanoic acid IUPAC Name: 3-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]piperidin-1-yl]propanoic acid Traditional Name: 3-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]piperidino]propionic acid Formula: C18H28N6O4 MolecularWeight: 392.45272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCCN(C3)CCC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCCN(C3)CCC(=O)O

InChI

InChI=1S/C18H28N6O4/c1-2-3-9-28-17-21-15(19)14-16(22-17)24(18(27)20-14)11-12-5-4-7-23(10-12)8-6-13(25)26/h12H,2-11H2,1H3,(H,20,27)(H,25,26)(H2,19,21,22)