3-butyl-7-ethyl-8-[[(4-ethylphenyl)amino]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[(4-ethylphenyl)amino]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(4-ethylanilino)methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(4-ethylanilino)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(4-ethylanilino)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(4-ethylanilino)methyl]xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=C(C=C3)CC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=C(C=C3)CC)CC

InChI

InChI=1S/C20H27N5O2/c1-4-7-12-25-18-17(19(26)23-20(25)27)24(6-3)16(22-18)13-21-15-10-8-14(5-2)9-11-15/h8-11,21H,4-7,12-13H2,1-3H3,(H,23,26,27)