ethyl 11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecanoate

Systemtic Name: ethyl 11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecanoate Openeye Name: ethyl 11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)undecanoate CAS Name: 11-(3,7-dimethyl-2,6-dioxo-1-purinyl)undecanoic acid ethyl ester IUPAC Name: ethyl 11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecanoate Traditional Name: 11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecanoic acid ethyl ester Formula: C20H32N4O4 MolecularWeight: 392.49248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C20H32N4O4/c1-4-28-16(25)13-11-9-7-5-6-8-10-12-14-24-19(26)17-18(21-15-22(17)2)23(3)20(24)27/h15H,4-14H2,1-3H3