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

Systemtic Name: 8-(2-methoxyethylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-(2-methoxyethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(2-methoxyethylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-(2-methoxyethylamino)-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(2-methoxyethylamino)-3-methyl-xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c1-26-20-19(21(29)28(23(26)30)16-18-11-7-4-8-12-18)27(15-17-9-5-3-6-10-17)22(25-20)24-13-14-31-2/h3-12H,13-16H2,1-2H3,(H,24,25)