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

Systemtic Name: 2-ethyl-9-(phenylmethyl)-8-prop-2-enylsulfanyl-3H-purin-6-one Openeye Name: 8-allylsulfanyl-9-benzyl-2-ethyl-3H-purin-6-one CAS Name: 2-ethyl-9-(phenylmethyl)-8-(prop-2-enylthio)-3H-purin-6-one IUPAC Name: 9-benzyl-2-ethyl-8-prop-2-enylsulfanyl-3H-purin-6-one Traditional Name: 8-(allylthio)-9-benzyl-2-ethyl-3H-purin-6-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N(C(=N2)SCC=C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N(C(=N2)SCC=C)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4OS/c1-3-10-23-17-20-14-15(18-13(4-2)19-16(14)22)21(17)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3,(H,18,19,22)