[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (2E,4E)-hexa-2,4-dienoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C=CC=CC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C=C/C=C/C)CC

InChI

InChI=1S/C18H24N4O4/c1-4-7-9-10-14(23)26-12-13-19-16-15(21(13)6-3)17(24)20-18(25)22(16)11-8-5-2/h4,7,9-10H,5-6,8,11-12H2,1-3H3,(H,20,24,25)/b7-4+,10-9+