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

Systemtic Name: methyl (Z)-4-methoxy-2-oxidanylidene-4-[9-(phenylmethyl)purin-8-yl]but-3-enoate Openeye Name: methyl (Z)-4-(9-benzylpurin-8-yl)-4-methoxy-2-oxo-but-3-enoate CAS Name: (Z)-4-methoxy-2-oxo-4-[9-(phenylmethyl)-8-purinyl]-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(9-benzylpurin-8-yl)-4-methoxy-2-oxobut-3-enoate Traditional Name: (Z)-4-(9-benzylpurin-8-yl)-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4/c1-25-15(8-14(23)18(24)26-2)17-21-13-9-19-11-20-16(13)22(17)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b15-8-