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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-8-[(dibenzylamino)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-[(dibenzylamino)methyl]-3-methyl-xanthine Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O3/c1-17(30)13-29-20(25-22-21(29)23(31)26-24(32)27(22)2)16-28(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3,(H,26,31,32)