7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[2-(4-methoxyphenyl)ethyl]-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)NCC3=CC=CC=C3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CCC4=CC=C(C=C4)OC

InChI

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