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

Systemtic Name: 2,9-dimethyl-8-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Openeye Name: 2,9-dimethyl-8-[[5-methyl-2-(3,4,5-trimethoxyphenyl)oxazol-4-yl]methylsulfanyl]-3H-purin-6-one CAS Name: 2,9-dimethyl-8-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-4-oxazolyl]methylthio]-3H-purin-6-one IUPAC Name: 2,9-dimethyl-8-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3H-purin-6-one Traditional Name: 2,9-dimethyl-8-[[5-methyl-2-(3,4,5-trimethoxyphenyl)oxazol-4-yl]methylthio]-3H-purin-6-one Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-10-13(9-32-21-25-16-18(26(21)3)22-11(2)23-19(16)27)24-20(31-10)12-7-14(28-4)17(30-6)15(8-12)29-5/h7-8H,9H2,1-6H3,(H,22,23,27)