(E)-4-[(2-azanyl-7H-purin-6-yl)sulfanyl]but-3-en-2-one

Systemtic Name: (E)-4-[(2-azanyl-7H-purin-6-yl)sulfanyl]but-3-en-2-one Openeye Name: (E)-4-[(2-amino-7H-purin-6-yl)sulfanyl]but-3-en-2-one CAS Name: (E)-4-[(2-amino-7H-purin-6-yl)thio]-3-buten-2-one IUPAC Name: (E)-4-[(2-amino-7H-purin-6-yl)sulfanyl]but-3-en-2-one Traditional Name: (E)-4-[(2-amino-7H-purin-6-yl)thio]but-3-en-2-one Formula: C9H9N5OS MolecularWeight: 235.26566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N5OS/c1-5(15)2-3-16-8-6-7(12-4-11-6)13-9(10)14-8/h2-4H,1H3,(H3,10,11,12,13,14)/b3-2+