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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-18(2)13-14-30-21(26-23-22(30)24(31)28-25(32)27-23)17-29(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3,(H2,27,28,31,32)