5-iodanyl-7-(phenylsulfonyl)-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 5-iodanyl-7-(phenylsulfonyl)-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(benzenesulfonyl)-5-iodo-4-(1-piperidyl)pyrrolo[2,3-d]pyrimidine CAS Name: 7-(benzenesulfonyl)-5-iodo-4-(1-piperidinyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(benzenesulfonyl)-5-iodo-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-besyl-5-iodo-4-piperidino-pyrrolo[2,3-d]pyrimidine Formula: C17H17IN4O2S MolecularWeight: 468.31195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2C(=CN3S(=O)(=O)C4=CC=CC=C4)I

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2C(=CN3S(=O)(=O)C4=CC=CC=C4)I

InChI

InChI=1S/C17H17IN4O2S/c18-14-11-22(25(23,24)13-7-3-1-4-8-13)17-15(14)16(19-12-20-17)21-9-5-2-6-10-21/h1,3-4,7-8,11-12H,2,5-6,9-10H2