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

Systemtic Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbothioamide Formula: C18H21N7S MolecularWeight: 367.47124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7S/c1-23-16-15(12-22-23)17(21-13-20-16)24-7-9-25(10-8-24)18(26)19-11-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,19,26)