(4-acetamidophenyl) 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: (4-acetamidophenyl) 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: (4-acetamidophenyl) 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid (4-acetamidophenyl) ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H21N5O5/c1-12(25)21-13-6-8-14(9-7-13)29-15(26)5-4-10-24-11-20-17-16(24)18(27)23(3)19(28)22(17)2/h6-9,11H,4-5,10H2,1-3H3,(H,21,25)