1-(3-oxidanylidenebutyl)-7-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(3-oxidanylidenebutyl)-7-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-benzyl-1-(3-oxobutyl)purine-2,6-dione CAS Name: 1-(3-oxobutyl)-7-(2-oxopropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-(3-oxobutyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-benzyl-1-(3-ketobutyl)xanthine Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4/c1-13(24)8-9-22-18(26)16-17(20-12-21(16)10-14(2)25)23(19(22)27)11-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3