7-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-1,3-dimethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(CC1=CC=C(C=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H23N5O3/c1-12(10-13-4-6-14(24)7-5-13)19-8-9-23-11-20-16-15(23)17(25)22(3)18(26)21(16)2/h4-7,11-12,19,24H,8-10H2,1-3H3