7-butyl-3-methyl-8-(phenethylamino)purine-2,6-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H23N5O2/c1-3-4-12-23-14-15(22(2)18(25)21-16(14)24)20-17(23)19-11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)(H,21,24,25)