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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (2E,4E)-hexa-2,4-dienoate Openeye Name: (3-butyl-7-methyl-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-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-4-6-8-9-13(22)25-11-12-18-15-14(20(12)3)16(23)19-17(24)21(15)10-7-5-2/h4,6,8-9H,5,7,10-11H2,1-3H3,(H,19,23,24)/b6-4+,9-8+