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

Systemtic Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C17H20N8S MolecularWeight: 368.4593

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C17H20N8S/c1-23-15-14(11-22-23)16(21-12-20-15)24-5-7-25(8-6-24)17(26)19-10-13-3-2-4-18-9-13/h2-4,9,11-12H,5-8,10H2,1H3,(H,19,26)