7-ethyl-1-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-(4-ethylphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-(4-ethylphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-(4-ethylphenyl)-2-keto-ethyl]xanthine Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(N=CN3CC)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(N=CN3CC)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3/c1-3-17-10-12-19(13-11-17)20(29)15-28-23(30)21-22(25-16-26(21)4-2)27(24(28)31)14-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3