8-(diethylamino)-1-methyl-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(diethylamino)-1-methyl-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-8-(diethylamino)-1-methyl-purine-2,6-dione CAS Name: 8-(diethylamino)-1-methyl-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-8-(diethylamino)-1-methylpurine-2,6-dione Traditional Name: 3,7-dibenzyl-8-(diethylamino)-1-methyl-xanthine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2CC4=CC=CC=C4)C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2CC4=CC=CC=C4)C

InChI

InChI=1S/C24H27N5O2/c1-4-27(5-2)23-25-21-20(28(23)16-18-12-8-6-9-13-18)22(30)26(3)24(31)29(21)17-19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3