[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] ethanoate

Systemtic Name: [[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] ethanoate Openeye Name: [(1,3-dimethyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] acetate CAS Name: acetic acid [(1,3-dimethyl-2,6-dioxo-7-purinyl)-phenylmethyl] ester IUPAC Name: [(1,3-dimethyl-2,6-dioxopurin-7-yl)-phenylmethyl] acetate Traditional Name: acetic acid [(2,6-diketo-1,3-dimethyl-purin-7-yl)-phenyl-methyl] ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

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