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

Systemtic Name: N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butane-1-sulfonamide Openeye Name: N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butane-1-sulfonamide CAS Name: N-[2-[4-(4-phenyl-1-piperazinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-butanesulfonamide IUPAC Name: N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butane-1-sulfonamide Traditional Name: N-[2-[4-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butane-1-sulfonamide Formula: C21H29N7O2S MolecularWeight: 443.56566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O2S/c1-2-3-15-31(29,30)25-9-10-28-21-19(16-24-28)20(22-17-23-21)27-13-11-26(12-14-27)18-7-5-4-6-8-18/h4-8,16-17,25H,2-3,9-15H2,1H3