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

Systemtic Name: 8-(ethylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-(ethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(ethylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-(ethylamino)-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(ethylamino)-3-methyl-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-3-23-21-24-19-18(26(21)14-16-10-6-4-7-11-16)20(28)27(22(29)25(19)2)15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3,(H,23,24)