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

Systemtic Name: methyl (Z)-4-methoxy-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-methoxy-2-oxo-but-3-enoate CAS Name: (Z)-4-methoxy-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-methoxy-2-oxobut-3-enoate Traditional Name: (Z)-4-(1,9-dibenzyl-6-keto-purin-8-yl)-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CO/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/C25H22N4O5/c1-33-20(13-19(30)25(32)34-2)22-27-21-23(29(22)15-18-11-7-4-8-12-18)26-16-28(24(21)31)14-17-9-5-3-6-10-17/h3-13,16H,14-15H2,1-2H3/b20-13-