[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-(methoxymethyl)benzoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-(methoxymethyl)benzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-(methoxymethyl)benzoate CAS Name: 4-(methoxymethyl)benzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 4-(methoxymethyl)benzoate Traditional Name: 4-(methoxymethyl)benzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)COC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)COC)CC

InChI

InChI=1S/C21H26N4O5/c1-4-6-11-25-18-17(19(26)23-21(25)28)24(5-2)16(22-18)13-30-20(27)15-9-7-14(8-10-15)12-29-3/h7-10H,4-6,11-13H2,1-3H3,(H,23,26,28)