2-[7-[(E)-3-chloranylbut-2-enyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[7-[(E)-3-chloranylbut-2-enyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-[7-[(E)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetamide CAS Name: 2-[[7-[(E)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: 2-[7-[(E)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[[7-[(E)-3-chlorobut-2-enyl]-2,6-diketo-3-methyl-purin-8-yl]thio]acetamide Formula: C12H14ClN5O3S MolecularWeight: 343.78926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C12H14ClN5O3S/c1-6(13)3-4-18-8-9(15-12(18)22-5-7(14)19)17(2)11(21)16-10(8)20/h3H,4-5H2,1-2H3,(H2,14,19)(H,16,20,21)/b6-3+