methyl (2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoate

Systemtic Name: methyl (2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoate Openeye Name: methyl (2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoate CAS Name: (2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoate Traditional Name: (2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoic acid methyl ester Formula: C12H12N4O2 MolecularWeight: 244.24928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC1=C2C(=NC=N1)N=CN2)C(=O)OC

Isomeric SMILES

C/C(=C\C=C\C1=C2C(=NC=N1)N=CN2)/C(=O)OC

InChI

InChI=1S/C12H12N4O2/c1-8(12(17)18-2)4-3-5-9-10-11(15-6-13-9)16-7-14-10/h3-7H,1-2H3,(H,13,14,15,16)/b5-3+,8-4+