8-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-9-(4-methylphenyl)-3H-purin-6-one

Systemtic Name: 8-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-9-(4-methylphenyl)-3H-purin-6-one Openeye Name: 8-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-9-(p-tolyl)-3H-purin-6-one CAS Name: 8-(2-imidazo[1,2-a]pyridinylmethylthio)-9-(4-methylphenyl)-3H-purin-6-one IUPAC Name: 8-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-9-(4-methylphenyl)-3H-purin-6-one Traditional Name: 8-(imidazo[1,2-a]pyridin-2-ylmethylthio)-9-(p-tolyl)-3H-purin-6-one Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CN5C=CC=CC5=N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CN5C=CC=CC5=N4

InChI

InChI=1S/C20H16N6OS/c1-13-5-7-15(8-6-13)26-18-17(19(27)22-12-21-18)24-20(26)28-11-14-10-25-9-3-2-4-16(25)23-14/h2-10,12H,11H2,1H3,(H,21,22,27)