2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-methyl-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-methyl-N-[4-(methylthio)benzyl]acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H21N5O3S/c1-20(9-12-5-7-13(27-4)8-6-12)14(24)10-23-17(25)15-16(19-11-21(15)2)22(3)18(23)26/h5-8,11H,9-10H2,1-4H3