1-[(4-methoxyphenyl)methyl]-3-(2-methyl-5-methylsulfanyl-phenyl)-7H-purine-2,6-dione

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-(2-methyl-5-methylsulfanyl-phenyl)-7H-purine-2,6-dione Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-(2-methyl-5-methylsulfanyl-phenyl)-7H-purine-2,6-dione CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[2-methyl-5-(methylthio)phenyl]-7H-purine-2,6-dione IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-(2-methyl-5-methylsulfanylphenyl)-7H-purine-2,6-dione Traditional Name: 3-[2-methyl-5-(methylthio)phenyl]-1-p-anisyl-7H-purine-2,6-quinone Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)NC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)SC)N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)NC=N3

InChI

InChI=1S/C21H20N4O3S/c1-13-4-9-16(29-3)10-17(13)25-19-18(22-12-23-19)20(26)24(21(25)27)11-14-5-7-15(28-2)8-6-14/h4-10,12H,11H2,1-3H3,(H,22,23)