(E)-1-phenyl-3-(7H-purin-6-ylsulfanyl)prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-(7H-purin-6-ylsulfanyl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(7H-purin-6-ylsulfanyl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-(7H-purin-6-ylthio)-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(7H-purin-6-ylsulfanyl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-(7H-purin-6-ylthio)prop-2-en-1-one Formula: C14H10N4OS MolecularWeight: 282.3204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H10N4OS/c19-11(10-4-2-1-3-5-10)6-7-20-14-12-13(16-8-15-12)17-9-18-14/h1-9H,(H,15,16,17,18)/b7-6+