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

Systemtic Name: [[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] butanoate Openeye Name: [(1,3-dimethyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] butanoate CAS Name: butanoic acid [(1,3-dimethyl-2,6-dioxo-7-purinyl)-phenylmethyl] ester IUPAC Name: [(1,3-dimethyl-2,6-dioxopurin-7-yl)-phenylmethyl] butanoate Traditional Name: butyric acid [(2,6-diketo-1,3-dimethyl-purin-7-yl)-phenyl-methyl] ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c1-4-8-13(23)26-17(12-9-6-5-7-10-12)22-11-19-15-14(22)16(24)21(3)18(25)20(15)2/h5-7,9-11,17H,4,8H2,1-3H3