9-(4-methylphenyl)-8-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-3H-purin-6-one

Systemtic Name: 9-(4-methylphenyl)-8-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-3H-purin-6-one Openeye Name: 8-[(5-methyl-2-phenyl-oxazol-4-yl)methylsulfanyl]-9-(p-tolyl)-3H-purin-6-one CAS Name: 9-(4-methylphenyl)-8-[(5-methyl-2-phenyl-4-oxazolyl)methylthio]-3H-purin-6-one IUPAC Name: 9-(4-methylphenyl)-8-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-3H-purin-6-one Traditional Name: 8-[(5-methyl-2-phenyl-oxazol-4-yl)methylthio]-9-(p-tolyl)-3H-purin-6-one Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=C(OC(=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=C(OC(=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C23H19N5O2S/c1-14-8-10-17(11-9-14)28-20-19(21(29)25-13-24-20)27-23(28)31-12-18-15(2)30-22(26-18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,24,25,29)