4-(2-azanyl-6-chloranyl-purin-9-yl)butyl 3-acetyloxypropanoate

Systemtic Name: 4-(2-azanyl-6-chloranyl-purin-9-yl)butyl 3-acetyloxypropanoate Openeye Name: 4-(2-amino-6-chloro-purin-9-yl)butyl 3-acetoxypropanoate CAS Name: 3-acetyloxypropanoic acid 4-(2-amino-6-chloro-9-purinyl)butyl ester IUPAC Name: 4-(2-amino-6-chloropurin-9-yl)butyl 3-acetyloxypropanoate Traditional Name: 3-acetoxypropionic acid 4-(2-amino-6-chloro-purin-9-yl)butyl ester Formula: C14H18ClN5O4 MolecularWeight: 355.77682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(=O)OCCCCN1C=NC2=C1N=C(N=C2Cl)N

Isomeric SMILES

CC(=O)OCCC(=O)OCCCCN1C=NC2=C1N=C(N=C2Cl)N

InChI

InChI=1S/C14H18ClN5O4/c1-9(21)23-7-4-10(22)24-6-3-2-5-20-8-17-11-12(15)18-14(16)19-13(11)20/h8H,2-7H2,1H3,(H2,16,18,19)