[5-[2-(2,2-diphenylethanoylamino)-6-oxidanylidene-3H-purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [5-[2-(2,2-diphenylethanoylamino)-6-oxidanylidene-3H-purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [5-[2-[(2,2-diphenylacetyl)amino]-6-oxo-3H-purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-(hydroxymethyl)-5-[6-oxo-2-[(1-oxo-2,2-diphenylethyl)amino]-3H-purin-9-yl]-3-oxolanyl] ester IUPAC Name: [5-[2-[(2,2-diphenylacetyl)amino]-6-oxo-3H-purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-[2-[(2,2-diphenylacetyl)amino]-6-keto-3H-purin-9-yl]-2-methylol-tetrahydrofuran-3-yl] ester Formula: C29H29N5O7 MolecularWeight: 559.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1CC(OC1CO)N2C=NC3=C2NC(=NC3=O)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)CCC(=O)OC1CC(OC1CO)N2C=NC3=C2NC(=NC3=O)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O7/c1-17(36)12-13-23(37)41-20-14-22(40-21(20)15-35)34-16-30-25-26(34)31-29(33-28(25)39)32-27(38)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,20-22,24,35H,12-15H2,1H3,(H2,31,32,33,38,39)