[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-but-2-enoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-but-2-enoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4/c1-4-7-9-20-14-13(15(22)18-16(20)23)19(6-3)11(17-14)10-24-12(21)8-5-2/h5,8H,4,6-7,9-10H2,1-3H3,(H,18,22,23)/b8-5+