[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C25H29N5O6 MolecularWeight: 495.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCC)CC

InChI

InChI=1S/C25H29N5O6/c1-4-7-11-29-20-19(21(31)27-25(29)35)28(6-3)18(26-20)14-36-24(34)15-9-10-16-17(13-15)23(33)30(22(16)32)12-8-5-2/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,27,31,35)