9-(4-methylphenyl)-8-(pyridin-2-ylmethylsulfanyl)-3H-purin-6-one

Systemtic Name: 9-(4-methylphenyl)-8-(pyridin-2-ylmethylsulfanyl)-3H-purin-6-one Openeye Name: 9-(p-tolyl)-8-(2-pyridylmethylsulfanyl)-3H-purin-6-one CAS Name: 9-(4-methylphenyl)-8-(2-pyridinylmethylthio)-3H-purin-6-one IUPAC Name: 9-(4-methylphenyl)-8-(pyridin-2-ylmethylsulfanyl)-3H-purin-6-one Traditional Name: 9-(p-tolyl)-8-(2-pyridylmethylthio)-3H-purin-6-one Formula: C18H15N5OS MolecularWeight: 349.4096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC=CC=N4

InChI

InChI=1S/C18H15N5OS/c1-12-5-7-14(8-6-12)23-16-15(17(24)21-11-20-16)22-18(23)25-10-13-4-2-3-9-19-13/h2-9,11H,10H2,1H3,(H,20,21,24)