2-hexylsulfanyl-8-phenyl-3,7-dihydropurin-6-one

Systemtic Name: 2-hexylsulfanyl-8-phenyl-3,7-dihydropurin-6-one Openeye Name: 2-hexylsulfanyl-8-phenyl-3,7-dihydropurin-6-one CAS Name: 2-(hexylthio)-8-phenyl-3,7-dihydropurin-6-one IUPAC Name: 2-hexylsulfanyl-8-phenyl-3,7-dihydropurin-6-one Traditional Name: 2-(hexylthio)-8-phenyl-3,7-dihydropurin-6-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=O)C2=C(N1)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCSC1=NC(=O)C2=C(N1)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4OS/c1-2-3-4-8-11-23-17-20-15-13(16(22)21-17)18-14(19-15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H2,18,19,20,21,22)