cyclohexyl 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate

Systemtic Name: cyclohexyl 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate Openeye Name: cyclohexyl 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoate Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionic acid cyclohexyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OC3CCCCC3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OC3CCCCC3)CC(C)C

InChI

InChI=1S/C22H34N4O4/c1-4-5-13-25-20-19(21(28)24-22(25)29)26(14-15(2)3)17(23-20)11-12-18(27)30-16-9-7-6-8-10-16/h15-16H,4-14H2,1-3H3,(H,24,28,29)