methyl 2,4-bis(oxidanylidene)-4-[9-(phenylmethyl)purin-6-yl]butanoate

Systemtic Name: methyl 2,4-bis(oxidanylidene)-4-[9-(phenylmethyl)purin-6-yl]butanoate Openeye Name: methyl 4-(9-benzylpurin-6-yl)-2,4-dioxo-butanoate CAS Name: 2,4-dioxo-4-[9-(phenylmethyl)-6-purinyl]butanoic acid methyl ester IUPAC Name: methyl 4-(9-benzylpurin-6-yl)-2,4-dioxobutanoate Traditional Name: 4-(9-benzylpurin-6-yl)-2,4-diketo-butyric acid methyl ester Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-6,9-10H,7-8H2,1H3