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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C18H21N5O3S/c1-21-16-15(17(25)22(2)18(21)26)23(11-19-16)10-6-9-14(24)20-12-7-4-5-8-13(12)27-3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,20,24)