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

Systemtic Name: 9-(4-methylphenyl)-8-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-3H-purin-6-one Openeye Name: 8-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylsulfanyl]-9-(p-tolyl)-3H-purin-6-one CAS Name: 9-(4-methylphenyl)-8-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methylthio]-3H-purin-6-one IUPAC Name: 9-(4-methylphenyl)-8-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-3H-purin-6-one Traditional Name: 8-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylthio]-9-(p-tolyl)-3H-purin-6-one Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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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=CS5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=C(OC(=N4)C5=CC=CS5)C

InChI

InChI=1S/C21H17N5O2S2/c1-12-5-7-14(8-6-12)26-18-17(19(27)23-11-22-18)25-21(26)30-10-15-13(2)28-20(24-15)16-4-3-9-29-16/h3-9,11H,10H2,1-2H3,(H,22,23,27)