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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-but-2-enoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4/c1-4-6-8-19-13-12(14(21)17-15(19)22)18(3)10(16-13)9-23-11(20)7-5-2/h5,7H,4,6,8-9H2,1-3H3,(H,17,21,22)/b7-5+