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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3,3-dimethylbutanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C16H24N4O4 MolecularWeight: 336.38616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(C)(C)CC(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C16H24N4O4/c1-16(2,3)9-11(21)24-8-6-7-20-14(22)12-13(17-10-18(12)4)19(5)15(20)23/h10H,6-9H2,1-5H3