3-butyl-7-ethyl-8-(phenylazanylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-(phenylazanylmethyl)purine-2,6-dione Openeye Name: 8-(anilinomethyl)-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-(anilinomethyl)-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-(anilinomethyl)-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-(anilinomethyl)-3-butyl-7-ethyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-3-5-11-23-16-15(17(24)21-18(23)25)22(4-2)14(20-16)12-19-13-9-7-6-8-10-13/h6-10,19H,3-5,11-12H2,1-2H3,(H,21,24,25)