3-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-[(5-methyl-2-thienyl)methylamino]phenyl]-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-[(5-methyl-2-thiophenyl)methylamino]phenyl]-1-(4-piperidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-[(5-methyl-2-thienyl)methyl]amine Formula: C22H25N7S MolecularWeight: 419.5458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CNC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5

Isomeric SMILES

CC1=CC=C(S1)CNC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5

InChI

InChI=1S/C22H25N7S/c1-14-2-7-18(30-14)12-25-16-5-3-15(4-6-16)20-19-21(23)26-13-27-22(19)29(28-20)17-8-10-24-11-9-17/h2-7,13,17,24-25H,8-12H2,1H3,(H2,23,26,27)