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

Systemtic Name: 8-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 8-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 8-[[2-(4-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 8-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylthio]-9-methyl-3H-purin-6-one Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CSC3=NC4=C(N3C)NC=NC4=O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CSC3=NC4=C(N3C)NC=NC4=O

InChI

InChI=1S/C18H17N5O3S/c1-10-13(21-17(26-10)11-4-6-12(25-3)7-5-11)8-27-18-22-14-15(23(18)2)19-9-20-16(14)24/h4-7,9H,8H2,1-3H3,(H,19,20,24)