[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-phenylethanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-phenylethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-phenylacetate CAS Name: 2-phenylacetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-phenylacetate Traditional Name: 2-phenylacetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC=CC=C3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC=CC=C3)CC

InChI

InChI=1S/C20H24N4O4/c1-3-5-11-24-18-17(19(26)22-20(24)27)23(4-2)15(21-18)13-28-16(25)12-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H,22,26,27)