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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-methyl-N-[[4-(methylthio)phenyl]methyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-methyl-N-[4-(methylthio)benzyl]butyramide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H25N5O3S/c1-22(12-14-7-9-15(29-4)10-8-14)16(26)6-5-11-25-13-21-18-17(25)19(27)24(3)20(28)23(18)2/h7-10,13H,5-6,11-12H2,1-4H3