4-(phenylsulfonylmethyl)-2-pyridin-3-yl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-(phenylsulfonylmethyl)-2-pyridin-3-yl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-(benzenesulfonylmethyl)-2-(3-pyridyl)-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-(benzenesulfonylmethyl)-2-(3-pyridinyl)-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-(benzenesulfonylmethyl)-2-pyridin-3-yl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-(besylmethyl)-2-(3-pyridyl)-6-pyrrolidino-pyrimidine Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=C2)CS(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=C2)CS(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C20H20N4O2S/c25-27(26,18-8-2-1-3-9-18)15-17-13-19(24-11-4-5-12-24)23-20(22-17)16-7-6-10-21-14-16/h1-3,6-10,13-14H,4-5,11-12,15H2