methyl 3-[[1-cyclohexyl-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]methyl]benzoate

Systemtic Name: methyl 3-[[1-cyclohexyl-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]methyl]benzoate Openeye Name: methyl 3-[(1-cyclohexyl-2,6-dioxo-3-phenyl-purin-7-yl)methyl]benzoate CAS Name: 3-[(1-cyclohexyl-2,6-dioxo-3-phenyl-7-purinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-cyclohexyl-2,6-dioxo-3-phenylpurin-7-yl)methyl]benzoate Traditional Name: 3-[(1-cyclohexyl-2,6-diketo-3-phenyl-purin-7-yl)methyl]benzoic acid methyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C26H26N4O4/c1-34-25(32)19-10-8-9-18(15-19)16-28-17-27-23-22(28)24(31)30(21-13-6-3-7-14-21)26(33)29(23)20-11-4-2-5-12-20/h2,4-5,8-12,15,17,21H,3,6-7,13-14,16H2,1H3