8-[2-(3,4-dimethylphenyl)ethylamino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(3,4-dimethylphenyl)ethylamino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethylphenyl)ethylamino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethylphenyl)ethylamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethylphenyl)ethylamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[2-(3,4-dimethylphenyl)ethylamino]-1,3,7-trimethyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

InChI

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