8-pent-4-en-2-ynylsulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 8-pent-4-en-2-ynylsulfanyl-3,7-dihydropurin-6-one Openeye Name: 8-pent-4-en-2-ynylsulfanyl-3,7-dihydropurin-6-one CAS Name: 8-(pent-4-en-2-ynylthio)-3,7-dihydropurin-6-one IUPAC Name: 8-pent-4-en-2-ynylsulfanyl-3,7-dihydropurin-6-one Traditional Name: 8-(pent-4-en-2-ynylthio)-3,7-dihydropurin-6-one Formula: C10H8N4OS MolecularWeight: 232.26172

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Descriptors Computed from Structure

Canonical SMILES:

C=CC#CCSC1=NC2=C(N1)C(=O)N=CN2

Isomeric SMILES

C=CC#CCSC1=NC2=C(N1)C(=O)N=CN2

InChI

InChI=1S/C10H8N4OS/c1-2-3-4-5-16-10-13-7-8(14-10)11-6-12-9(7)15/h2,6H,1,5H2,(H2,11,12,13,14,15)