8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-xanthine Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCCO

InChI

InChI=1S/C25H29N5O3/c1-27-23-22(24(32)28(2)25(27)33)30(14-9-15-31)21(26-23)18-29(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-8,10-13,31H,9,14-18H2,1-2H3