4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C22H22N8S MolecularWeight: 430.52868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=S)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=S)NCC5=CN=CC=C5

InChI

InChI=1S/C22H22N8S/c31-22(24-14-17-5-4-8-23-13-17)29-11-9-28(10-12-29)20-19-15-27-30(21(19)26-16-25-20)18-6-2-1-3-7-18/h1-8,13,15-16H,9-12,14H2,(H,24,31)