N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propane-1-sulfonamide

Systemtic Name: N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propane-1-sulfonamide Openeye Name: N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propane-1-sulfonamide CAS Name: N-[2-[4-(4-phenyl-1-piperazinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-propanesulfonamide IUPAC Name: N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propane-1-sulfonamide Traditional Name: N-[2-[4-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propane-1-sulfonamide Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCCN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)NCCN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N7O2S/c1-2-14-30(28,29)24-8-9-27-20-18(15-23-27)19(21-16-22-20)26-12-10-25(11-13-26)17-6-4-3-5-7-17/h3-7,15-16,24H,2,8-14H2,1H3