2,4-bis(oxidanylidene)-4-[9-(phenylmethyl)purin-6-yl]butanoic acid

Systemtic Name: 2,4-bis(oxidanylidene)-4-[9-(phenylmethyl)purin-6-yl]butanoic acid Openeye Name: 4-(9-benzylpurin-6-yl)-2,4-dioxo-butanoic acid CAS Name: 2,4-dioxo-4-[9-(phenylmethyl)-6-purinyl]butanoic acid IUPAC Name: 4-(9-benzylpurin-6-yl)-2,4-dioxobutanoic acid Traditional Name: 4-(9-benzylpurin-6-yl)-2,4-diketo-butyric acid Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C16H12N4O4/c21-11(6-12(22)16(23)24)13-14-15(18-8-17-13)20(9-19-14)7-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,23,24)