8-[2-(2-methoxyphenyl)ethylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(2-methoxyphenyl)ethylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(2-methoxyphenyl)ethylamino]-3-methyl-purine-2,6-dione CAS Name: 8-[2-(2-methoxyphenyl)ethylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(2-methoxyphenyl)ethylamino]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[2-(2-methoxyphenyl)ethylamino]-3-methyl-xanthine Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3OC)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3/c1-26-19-18(20(28)25-22(26)29)27(14-15-8-4-3-5-9-15)21(24-19)23-13-12-16-10-6-7-11-17(16)30-2/h3-11H,12-14H2,1-2H3,(H,23,24)(H,25,28,29)