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

Systemtic Name: methyl (Z)-4-oxidanyl-2-oxidanylidene-4-[9-(phenylmethyl)purin-8-yl]but-3-enoate Openeye Name: methyl (Z)-4-(9-benzylpurin-8-yl)-4-hydroxy-2-oxo-but-3-enoate CAS Name: (Z)-4-hydroxy-2-oxo-4-[9-(phenylmethyl)-8-purinyl]-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(9-benzylpurin-8-yl)-4-hydroxy-2-oxobut-3-enoate Traditional Name: (Z)-4-(9-benzylpurin-8-yl)-4-hydroxy-2-keto-but-3-enoic acid methyl ester Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C=C(C1=NC2=CN=CN=C2N1CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C(=O)/C=C(/C1=NC2=CN=CN=C2N1CC3=CC=CC=C3)\O

InChI

InChI=1S/C17H14N4O4/c1-25-17(24)14(23)7-13(22)16-20-12-8-18-10-19-15(12)21(16)9-11-5-3-2-4-6-11/h2-8,10,22H,9H2,1H3/b13-7-