4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-6-pyrrolidino-pyrimidine Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H25N5O2S/c25-27(26,15-17-6-2-1-3-7-17)24-12-10-23(11-13-24)19-14-18(20-16-21-19)22-8-4-5-9-22/h1-3,6-7,14,16H,4-5,8-13,15H2