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

Systemtic Name: methyl (Z)-4-oxidanyl-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-hydroxy-2-oxo-but-3-enoate CAS Name: (Z)-4-hydroxy-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-hydroxy-2-oxobut-3-enoate Traditional Name: (Z)-4-(1,9-dibenzyl-6-keto-purin-8-yl)-4-hydroxy-2-keto-but-3-enoic acid methyl ester Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O5/c1-33-24(32)19(30)12-18(29)21-26-20-22(28(21)14-17-10-6-3-7-11-17)25-15-27(23(20)31)13-16-8-4-2-5-9-16/h2-12,15,29H,13-14H2,1H3/b18-12-