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

Systemtic Name: methyl (Z)-4-oxidanyl-2-oxidanylidene-4-[9-(phenylmethyl)purin-6-yl]but-3-enoate Openeye Name: methyl (Z)-4-(9-benzylpurin-6-yl)-4-hydroxy-2-oxo-but-3-enoate CAS Name: (Z)-4-hydroxy-2-oxo-4-[9-(phenylmethyl)-6-purinyl]-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(9-benzylpurin-6-yl)-4-hydroxy-2-oxobut-3-enoate Traditional Name: (Z)-4-(9-benzylpurin-6-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=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C(=O)/C=C(/C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)\O

InChI

InChI=1S/C17H14N4O4/c1-25-17(24)13(23)7-12(22)14-15-16(19-9-18-14)21(10-20-15)8-11-5-3-2-4-6-11/h2-7,9-10,22H,8H2,1H3/b12-7-