N-cyclopropyl-4-methyl-3-[4-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[4-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[4-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[4-(4-methylsulfonylphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[4-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzamide Traditional Name: N-cyclopropyl-3-[4-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C4=NC=NC(=C4C=N3)C5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C4=NC=NC(=C4C=N3)C5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C23H21N5O3S/c1-14-3-4-16(23(29)27-17-7-8-17)11-20(14)28-22-19(12-26-28)21(24-13-25-22)15-5-9-18(10-6-15)32(2,30)31/h3-6,9-13,17H,7-8H2,1-2H3,(H,27,29)