4-(4-phenethylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-(4-phenethylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-(4-phenethylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-(4-phenethylsulfonyl-1-piperazinyl)-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-(4-phenethylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-(4-phenethylsulfonylpiperazino)-6-pyrrolidino-pyrimidine Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C20H27N5O2S/c26-28(27,15-8-18-6-2-1-3-7-18)25-13-11-24(12-14-25)20-16-19(21-17-22-20)23-9-4-5-10-23/h1-3,6-7,16-17H,4-5,8-15H2