8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-phenethyl-xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c1-26-20-19(21(30)25-23(26)31)28(13-12-17-8-4-2-5-9-17)22(24-20)27(14-15-29)16-18-10-6-3-7-11-18/h2-11,29H,12-16H2,1H3,(H,25,30,31)