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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-butyl-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-[(dibenzylamino)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-butyl-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-[(dibenzylamino)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-[(dibenzylamino)methyl]-3-methyl-xanthine Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-3-4-15-30-21(26-23-22(30)24(31)27-25(32)28(23)2)18-29(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3,(H,27,31,32)