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1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl benzoate

1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl benzoate

Systemtic Name:1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl benzoate
Openeye Name:1-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl benzoate
CAS Name:benzoic acid 1-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester
IUPAC Name:1-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl benzoate
Traditional Name:benzoic acid 1-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester
Formula: C16H16N4O4
MolecularWeight: 328.32264
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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)C)OC(=O)C3=CC=CC=C3


Isomeric SMILES

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)C)OC(=O)C3=CC=CC=C3


InChI

InChI=1S/C16H16N4O4/c1-10(24-15(22)11-7-5-4-6-8-11)20-9-17-13-12(20)14(21)19(3)16(23)18(13)2/h4-10H,1-3H3


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