methyl 4-[[1-(2-methoxyethyl)-3-naphthalen-1-yl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzoate

Systemtic Name: methyl 4-[[1-(2-methoxyethyl)-3-naphthalen-1-yl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzoate Openeye Name: methyl 4-[[1-(2-methoxyethyl)-3-(1-naphthyl)-2,6-dioxo-purin-7-yl]methyl]benzoate CAS Name: 4-[[1-(2-methoxyethyl)-3-(1-naphthalenyl)-2,6-dioxo-7-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-methoxyethyl)-3-naphthalen-1-yl-2,6-dioxopurin-7-yl]methyl]benzoate Traditional Name: 4-[[2,6-diketo-1-(2-methoxyethyl)-3-(1-naphthyl)purin-7-yl]methyl]benzoic acid methyl ester Formula: C27H24N4O5 MolecularWeight: 484.50326

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)C(=O)OC)N(C1=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)C(=O)OC)N(C1=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H24N4O5/c1-35-15-14-30-25(32)23-24(28-17-29(23)16-18-10-12-20(13-11-18)26(33)36-2)31(27(30)34)22-9-5-7-19-6-3-4-8-21(19)22/h3-13,17H,14-16H2,1-2H3