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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(CC1=CC=CC=C1O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H23N5O3/c1-12(10-13-6-4-5-7-14(13)24)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