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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O2/c1-19(2)15-31-22(27-24-23(31)25(32)29(4)26(33)28(24)3)18-30(16-20-11-7-5-8-12-20)17-21-13-9-6-10-14-21/h5-14H,1,15-18H2,2-4H3