6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl 2-chloranylethanoate

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl 2-chloranylethanoate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] 2-chloroacetate CAS Name: 2-chloroacetic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-chloroacetate Traditional Name: 2-chloroacetic acid [5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C15H21ClN4O4 MolecularWeight: 356.80464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)CCl

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)CCl

InChI

InChI=1S/C15H21ClN4O4/c1-10(24-11(21)8-16)6-4-5-7-20-14(22)12-13(17-9-18(12)2)19(3)15(20)23/h9-10H,4-8H2,1-3H3