9-(phenylmethyl)-8-prop-2-enylsulfanyl-3H-purin-6-one

Systemtic Name: 9-(phenylmethyl)-8-prop-2-enylsulfanyl-3H-purin-6-one Openeye Name: 8-allylsulfanyl-9-benzyl-3H-purin-6-one CAS Name: 9-(phenylmethyl)-8-(prop-2-enylthio)-3H-purin-6-one IUPAC Name: 9-benzyl-8-prop-2-enylsulfanyl-3H-purin-6-one Traditional Name: 8-(allylthio)-9-benzyl-3H-purin-6-one Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(N1CC3=CC=CC=C3)NC=NC2=O

Isomeric SMILES

C=CCSC1=NC2=C(N1CC3=CC=CC=C3)NC=NC2=O

InChI

InChI=1S/C15H14N4OS/c1-2-8-21-15-18-12-13(16-10-17-14(12)20)19(15)9-11-6-4-3-5-7-11/h2-7,10H,1,8-9H2,(H,16,17,20)