[2-[[4-methyl-1,3,7-tris(oxidanylidene)-6-(phenylmethyl)purino[7,8-a]imidazol-8-ylidene]methyl]phenyl] ethanoate

Systemtic Name: [2-[[4-methyl-1,3,7-tris(oxidanylidene)-6-(phenylmethyl)purino[7,8-a]imidazol-8-ylidene]methyl]phenyl] ethanoate Openeye Name: [2-[(6-benzyl-4-methyl-1,3,7-trioxo-purino[7,8-a]imidazol-8-ylidene)methyl]phenyl] acetate CAS Name: acetic acid [2-[[4-methyl-1,3,7-trioxo-6-(phenylmethyl)-8-purino[7,8-a]imidazolylidene]methyl]phenyl] ester IUPAC Name: [2-[(6-benzyl-4-methyl-1,3,7-trioxopurino[7,8-a]imidazol-8-ylidene)methyl]phenyl] acetate Traditional Name: acetic acid [2-[(6-benzyl-1,3,7-triketo-4-methyl-purin[7,8-a]imidazol-8-ylidene)methyl]phenyl] ester Formula: C24H19N5O5 MolecularWeight: 457.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C=C2C(=O)N(C3=NC4=C(N23)C(=O)NC(=O)N4C)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C=C2C(=O)N(C3=NC4=C(N23)C(=O)NC(=O)N4C)CC5=CC=CC=C5

InChI

InChI=1S/C24H19N5O5/c1-14(30)34-18-11-7-6-10-16(18)12-17-22(32)28(13-15-8-4-3-5-9-15)23-25-20-19(29(17)23)21(31)26-24(33)27(20)2/h3-12H,13H2,1-2H3,(H,26,31,33)