5-azanyl-6-[(3-methylphenyl)amino]-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-azanyl-6-[(3-methylphenyl)amino]-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-amino-6-(3-methylanilino)-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-amino-6-(3-methylanilino)-3-(methylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-amino-6-(3-methylanilino)-3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-amino-3-(methylthio)-6-(m-toluidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H18N6OS MolecularWeight: 378.45082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(C(=NN3C4=CC=CC=C4)SC)C(=O)N2N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(C(=NN3C4=CC=CC=C4)SC)C(=O)N2N

InChI

InChI=1S/C19H18N6OS/c1-12-7-6-8-13(11-12)21-19-22-16-15(18(26)24(19)20)17(27-2)23-25(16)14-9-4-3-5-10-14/h3-11H,20H2,1-2H3,(H,21,22)