(Z)-4-(7H-purin-6-ylsulfanyl)but-3-en-2-one

Systemtic Name: (Z)-4-(7H-purin-6-ylsulfanyl)but-3-en-2-one Openeye Name: (Z)-4-(7H-purin-6-ylsulfanyl)but-3-en-2-one CAS Name: (Z)-4-(7H-purin-6-ylthio)-3-buten-2-one IUPAC Name: (Z)-4-(7H-purin-6-ylsulfanyl)but-3-en-2-one Traditional Name: (Z)-4-(7H-purin-6-ylthio)but-3-en-2-one Formula: C9H8N4OS MolecularWeight: 220.25102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(=O)/C=C\SC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C9H8N4OS/c1-6(14)2-3-15-9-7-8(11-4-10-7)12-5-13-9/h2-5H,1H3,(H,10,11,12,13)/b3-2-