N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide Formula: C18H21N7O3S MolecularWeight: 415.46944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C18H21N7O3S/c1-23-16-15(11-21-23)17(20-12-19-16)24-7-9-25(10-8-24)18(26)13-3-5-14(6-4-13)22-29(2,27)28/h3-6,11-12,22H,7-10H2,1-2H3