[4-(1-methyl-6-methylsulfonyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbamic acid

Systemtic Name: [4-(1-methyl-6-methylsulfonyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbamic acid Openeye Name: [4-(1-methyl-6-methylsulfonyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbamic acid CAS Name: [4-(1-methyl-6-methylsulfonyl-3-pyrazolo[3,4-d]pyrimidinyl)phenyl]carbamic acid IUPAC Name: [4-(1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbamic acid Traditional Name: [4-(6-mesyl-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbamic acid Formula: C14H13N5O4S MolecularWeight: 347.34912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2C(=N1)C3=CC=C(C=C3)NC(=O)O)S(=O)(=O)C

Isomeric SMILES

CN1C2=NC(=NC=C2C(=N1)C3=CC=C(C=C3)NC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H13N5O4S/c1-19-12-10(7-15-13(17-12)24(2,22)23)11(18-19)8-3-5-9(6-4-8)16-14(20)21/h3-7,16H,1-2H3,(H,20,21)