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

Systemtic Name: 8-(2-azanylethylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-1,7-dibenzyl-3-methyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-1,7-dibenzyl-3-methylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-1,7-dibenzyl-3-methyl-xanthine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCCN)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCCN)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2/c1-26-19-18(20(29)28(22(26)30)15-17-10-6-3-7-11-17)27(21(25-19)24-13-12-23)14-16-8-4-2-5-9-16/h2-11H,12-15,23H2,1H3,(H,24,25)