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

Systemtic Name: (E)-1-(furan-2-yl)-3-(7H-purin-6-ylsulfanyl)prop-2-en-1-one Openeye Name: (E)-1-(2-furyl)-3-(7H-purin-6-ylsulfanyl)prop-2-en-1-one CAS Name: (E)-1-(2-furanyl)-3-(7H-purin-6-ylthio)-2-propen-1-one IUPAC Name: (E)-1-(furan-2-yl)-3-(7H-purin-6-ylsulfanyl)prop-2-en-1-one Traditional Name: (E)-1-(2-furyl)-3-(7H-purin-6-ylthio)prop-2-en-1-one Formula: C12H8N4O2S MolecularWeight: 272.28252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O2S/c17-8(9-2-1-4-18-9)3-5-19-12-10-11(14-6-13-10)15-7-16-12/h1-7H,(H,13,14,15,16)/b5-3+