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

Systemtic Name: 9-methyl-8-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Openeye Name: 8-[[2-(4-isopropoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 9-methyl-8-[[5-methyl-2-(4-propan-2-yloxyphenyl)-4-oxazolyl]methylthio]-3H-purin-6-one IUPAC Name: 9-methyl-8-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Traditional Name: 8-[[2-(4-isopropoxyphenyl)-5-methyl-oxazol-4-yl]methylthio]-9-methyl-3H-purin-6-one Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S/c1-11(2)27-14-7-5-13(6-8-14)19-23-15(12(3)28-19)9-29-20-24-16-17(25(20)4)21-10-22-18(16)26/h5-8,10-11H,9H2,1-4H3,(H,21,22,26)