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

Systemtic Name: methyl 4-[[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]methyl]benzoate Openeye Name: methyl 4-[(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)methyl]benzoate CAS Name: 4-[[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)methyl]benzoate Traditional Name: 4-[(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)methyl]benzoic acid methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H22N4O4/c1-3-25-15-24-20-19(25)21(28)27(14-17-9-11-18(12-10-17)22(29)31-2)23(30)26(20)13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3