8-(2-dimethylaminoethylamino)-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-phenethyl-xanthine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2/c1-22(2)12-10-19-17-20-15-14(16(25)21-18(26)23(15)3)24(17)11-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,20)(H,21,25,26)