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

Systemtic Name: 9-methyl-8-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Openeye Name: 9-methyl-8-[[5-methyl-2-(p-tolyl)oxazol-4-yl]methylsulfanyl]-3H-purin-6-one CAS Name: 9-methyl-8-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylthio]-3H-purin-6-one IUPAC Name: 9-methyl-8-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Traditional Name: 9-methyl-8-[[5-methyl-2-(p-tolyl)oxazol-4-yl]methylthio]-3H-purin-6-one Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O

InChI

InChI=1S/C18H17N5O2S/c1-10-4-6-12(7-5-10)17-21-13(11(2)25-17)8-26-18-22-14-15(23(18)3)19-9-20-16(14)24/h4-7,9H,8H2,1-3H3,(H,19,20,24)