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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-xanthine Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3/c1-18(31)14-30-21(26-23-22(30)24(32)28(3)25(33)27(23)2)17-29(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13H,14-17H2,1-3H3