8-[(4-ethylphenyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[(4-ethylphenyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(4-ethylanilino)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-ethylanilino)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(4-ethylanilino)-1,3-dimethyl-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H23N5O2/c1-4-15-10-12-17(13-11-15)23-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)14-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3,(H,23,24)