4-[4-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(5-fluoro-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(5-fluoro-2-methoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(5-fluoro-2-methoxy-phenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C19H24FN5O3S MolecularWeight: 421.488963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C19H24FN5O3S/c1-28-16-5-4-15(20)12-17(16)29(26,27)25-10-8-24(9-11-25)19-13-18(21-14-22-19)23-6-2-3-7-23/h4-5,12-14H,2-3,6-11H2,1H3