N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazine-2-carboxamide

Systemtic Name: N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazine-2-carboxamide Openeye Name: N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazine-2-carboxamide CAS Name: N-[2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazine-2-carboxamide Traditional Name: N-[2-[4-[4-(2-pyrimidyl)piperazino]pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazinamide Formula: C20H21N11O MolecularWeight: 431.45384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3CCNC(=O)C4=NC=CN=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3CCNC(=O)C4=NC=CN=C4)C5=NC=CC=N5

InChI

InChI=1S/C20H21N11O/c32-19(16-13-21-4-5-22-16)23-6-7-31-18-15(12-28-31)17(26-14-27-18)29-8-10-30(11-9-29)20-24-2-1-3-25-20/h1-5,12-14H,6-11H2,(H,23,32)