2-phenacylsulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-phenacylsulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-phenacylsulfanyl-3,7-dihydropurin-6-one CAS Name: 2-(phenacylthio)-3,7-dihydropurin-6-one IUPAC Name: 2-phenacylsulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-(phenacylthio)-3,7-dihydropurin-6-one Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C13H10N4O2S/c18-9(8-4-2-1-3-5-8)6-20-13-16-11-10(12(19)17-13)14-7-15-11/h1-5,7H,6H2,(H2,14,15,16,17,19)