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

Systemtic Name: 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methylsulfanyl]-N,N-diethyl-butanamide Openeye Name: 4-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methylsulfanyl]-N,N-diethyl-butanamide CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methylthio]-N,N-diethylbutanamide IUPAC Name: 4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methylsulfanyl]-N,N-diethylbutanamide Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methylthio]-N,N-diethyl-butyramide Formula: C16H25N5O3S MolecularWeight: 367.4664

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C(=O)CCCSCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H25N5O3S/c1-5-20(6-2)12(22)8-7-9-25-11-21-10-17-14-13(21)15(23)19(4)16(24)18(14)3/h10H,5-9,11H2,1-4H3