2-azanyl-6-(4-methylphenyl)sulfanyl-1H-pteridin-4-one

Systemtic Name: 2-azanyl-6-(4-methylphenyl)sulfanyl-1H-pteridin-4-one Openeye Name: 2-amino-6-(p-tolylsulfanyl)-1H-pteridin-4-one CAS Name: 2-amino-6-[(4-methylphenyl)thio]-1H-pteridin-4-one IUPAC Name: 2-amino-6-(4-methylphenyl)sulfanyl-1H-pteridin-4-one Traditional Name: 2-amino-6-(p-tolylthio)-1H-pteridin-4-one Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C13H11N5OS/c1-7-2-4-8(5-3-7)20-9-6-15-11-10(16-9)12(19)18-13(14)17-11/h2-6H,1H3,(H3,14,15,17,18,19)