4-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-piperazinyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazino]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C19H19ClN6S MolecularWeight: 398.91236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C19H19ClN6S/c1-24-18-14(10-23-24)19(22-12-21-18)26-8-6-25(7-9-26)11-16-17(20)13-4-2-3-5-15(13)27-16/h2-5,10,12H,6-9,11H2,1H3