N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C26H29N7O3S MolecularWeight: 519.61856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C4=C(C=N3)C(=NC=N4)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C4=C(C=N3)C(=NC=N4)NCCC5=CC=CC=C5

InChI

InChI=1S/C26H29N7O3S/c34-26(21-8-10-22(11-9-21)37(35,36)32-15-4-5-16-32)28-14-17-33-25-23(18-31-33)24(29-19-30-25)27-13-12-20-6-2-1-3-7-20/h1-3,6-11,18-19H,4-5,12-17H2,(H,28,34)(H,27,29,30)