7-[3-(dimethylamino)-2-oxidanyl-propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[3-(dimethylamino)-2-oxidanyl-propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[3-(dimethylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[3-(dimethylamino)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CN(C)C)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CN(C)C)O

InChI

InChI=1S/C19H26N6O3/c1-22(2)11-14(26)12-25-15-16(23(3)19(28)24(4)17(15)27)21-18(25)20-10-13-8-6-5-7-9-13/h5-9,14,26H,10-12H2,1-4H3,(H,20,21)