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

Systemtic Name: 2,9-dimethyl-8-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Openeye Name: 8-[[2-(4-isopropylphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-2,9-dimethyl-3H-purin-6-one CAS Name: 2,9-dimethyl-8-[[5-methyl-2-(4-propan-2-ylphenyl)-4-oxazolyl]methylthio]-3H-purin-6-one IUPAC Name: 2,9-dimethyl-8-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Traditional Name: 2,9-dimethyl-8-[(5-methyl-2-p-cumenyl-oxazol-4-yl)methylthio]-3H-purin-6-one Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-11(2)14-6-8-15(9-7-14)20-24-16(12(3)28-20)10-29-21-25-17-18(26(21)5)22-13(4)23-19(17)27/h6-9,11H,10H2,1-5H3,(H,22,23,27)