8-(2-azanylethylamino)-3,7-dimethyl-1-phenethyl-purine-2,6-dione

Systemtic Name: 8-(2-azanylethylamino)-3,7-dimethyl-1-phenethyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-3,7-dimethyl-1-phenethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-3,7-dimethyl-1-phenethylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-3,7-dimethyl-1-phenethylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-3,7-dimethyl-1-phenethyl-xanthine Formula: C17H22N6O2 MolecularWeight: 342.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCN)N(C(=O)N(C2=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1NCCN)N(C(=O)N(C2=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C17H22N6O2/c1-21-13-14(20-16(21)19-10-9-18)22(2)17(25)23(15(13)24)11-8-12-6-4-3-5-7-12/h3-7H,8-11,18H2,1-2H3,(H,19,20)