N-[4-[(6-sulfanylidene-3H-purin-9-yl)sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[(6-sulfanylidene-3H-purin-9-yl)sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[(6-thioxo-3H-purin-9-yl)sulfonyl]phenyl]acetamide CAS Name: N-[4-[(6-sulfanylidene-3H-purin-9-yl)sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[(6-sulfanylidene-3H-purin-9-yl)sulfonyl]phenyl]acetamide Traditional Name: N-[4-[(6-thioxo-3H-purin-9-yl)sulfonyl]phenyl]acetamide Formula: C13H11N5O3S2 MolecularWeight: 349.38814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2NC=NC3=S

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2NC=NC3=S

InChI

InChI=1S/C13H11N5O3S2/c1-8(19)17-9-2-4-10(5-3-9)23(20,21)18-7-16-11-12(18)14-6-15-13(11)22/h2-7H,1H3,(H,17,19)(H,14,15,22)