methyl (Z)-4-ethoxy-2-oxidanylidene-4-[6-oxidanylidene-1,9-bis(phenylmethyl)purin-8-yl]but-3-enoate

Systemtic Name: methyl (Z)-4-ethoxy-2-oxidanylidene-4-[6-oxidanylidene-1,9-bis(phenylmethyl)purin-8-yl]but-3-enoate Openeye Name: methyl (Z)-4-(1,9-dibenzyl-6-oxo-purin-8-yl)-4-ethoxy-2-oxo-but-3-enoate CAS Name: (Z)-4-ethoxy-2-oxo-4-[6-oxo-1,9-bis(phenylmethyl)-8-purinyl]-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(1,9-dibenzyl-6-oxopurin-8-yl)-4-ethoxy-2-oxobut-3-enoate Traditional Name: (Z)-4-(1,9-dibenzyl-6-keto-purin-8-yl)-4-ethoxy-2-keto-but-3-enoic acid methyl ester Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)C(=O)OC)C1=NC2=C(N1CC3=CC=CC=C3)N=CN(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCO/C(=C\C(=O)C(=O)OC)/C1=NC2=C(N1CC3=CC=CC=C3)N=CN(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O5/c1-3-35-21(14-20(31)26(33)34-2)23-28-22-24(30(23)16-19-12-8-5-9-13-19)27-17-29(25(22)32)15-18-10-6-4-7-11-18/h4-14,17H,3,15-16H2,1-2H3/b21-14-