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2,4-bis(oxidanylidene)-4-[9-(phenylmethyl)purin-8-yl]butanoic acid

2,4-bis(oxidanylidene)-4-[9-(phenylmethyl)purin-8-yl]butanoic acid

Systemtic Name:2,4-bis(oxidanylidene)-4-[9-(phenylmethyl)purin-8-yl]butanoic acid
Openeye Name:4-(9-benzylpurin-8-yl)-2,4-dioxo-butanoic acid
CAS Name:2,4-dioxo-4-[9-(phenylmethyl)-8-purinyl]butanoic acid
IUPAC Name:4-(9-benzylpurin-8-yl)-2,4-dioxobutanoic acid
Traditional Name:4-(9-benzylpurin-8-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)CN2C3=NC=NC=C3N=C2C(=O)CC(=O)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC=NC=C3N=C2C(=O)CC(=O)C(=O)O


InChI

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


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