methyl 2-[[1-cyclohexyl-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[1-cyclohexyl-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[(1-cyclohexyl-2,6-dioxo-3-phenyl-purin-7-yl)methyl]oxazole-4-carboxylate CAS Name: 2-[(1-cyclohexyl-2,6-dioxo-3-phenyl-7-purinyl)methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-cyclohexyl-2,6-dioxo-3-phenylpurin-7-yl)methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[(1-cyclohexyl-2,6-diketo-3-phenyl-purin-7-yl)methyl]oxazole-4-carboxylic acid methyl ester Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=COC(=N1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

COC(=O)C1=COC(=N1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C23H23N5O5/c1-32-22(30)17-13-33-18(25-17)12-26-14-24-20-19(26)21(29)28(16-10-6-3-7-11-16)23(31)27(20)15-8-4-2-5-9-15/h2,4-5,8-9,13-14,16H,3,6-7,10-12H2,1H3