2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-3-methyl-butanamide

Systemtic Name: 2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-3-methyl-butanamide Openeye Name: 2-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-3-methyl-butanamide CAS Name: 2-[(4-amino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]-3-methylbutanamide IUPAC Name: 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-3-methylbutanamide Traditional Name: 2-[(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-3-methyl-butyramide Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N

Isomeric SMILES

CC(C)C(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N

InChI

InChI=1S/C16H18N6OS/c1-9(2)12(14(18)23)24-16-20-13(17)11-8-19-22(15(11)21-16)10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H2,18,23)(H2,17,20,21)