3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfonyl]propanamide CAS Name: 3-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethylsulfonyl]propanamide IUPAC Name: 3-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylsulfonyl]propanamide Traditional Name: 3-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethylsulfonyl]propionamide Formula: C12H17N5O5S MolecularWeight: 343.35888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C12H17N5O5S/c1-15-10-9(11(19)16(2)12(15)20)17(7-14-10)4-6-23(21,22)5-3-8(13)18/h7H,3-6H2,1-2H3,(H2,13,18)