3,7-dimethyl-6-methylsulfanyl-8-[(E)-2-phenylethenyl]purin-2-one

Systemtic Name: 3,7-dimethyl-6-methylsulfanyl-8-[(E)-2-phenylethenyl]purin-2-one Openeye Name: 3,7-dimethyl-6-methylsulfanyl-8-[(E)-styryl]purin-2-one CAS Name: 3,7-dimethyl-6-(methylthio)-8-[(E)-2-phenylethenyl]-2-purinone IUPAC Name: 3,7-dimethyl-6-methylsulfanyl-8-[(E)-2-phenylethenyl]purin-2-one Traditional Name: 3,7-dimethyl-6-(methylthio)-8-[(E)-styryl]purin-2-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=NC(=O)N2C)SC)C=CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC2=C1C(=NC(=O)N2C)SC)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H16N4OS/c1-19-12(10-9-11-7-5-4-6-8-11)17-14-13(19)15(22-3)18-16(21)20(14)2/h4-10H,1-3H3/b10-9+