4-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-2-methyl-6-propoxy-pyrimidine

Systemtic Name: 4-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-2-methyl-6-propoxy-pyrimidine Openeye Name: 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxy-pyrimidine CAS Name: 4-[4-(2,4-difluorophenyl)sulfonyl-1-piperazinyl]-2-methyl-6-propoxypyrimidine IUPAC Name: 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine Traditional Name: 4-[4-(2,4-difluorophenyl)sulfonylpiperazino]-2-methyl-6-propoxy-pyrimidine Formula: C18H22F2N4O3S MolecularWeight: 412.454086

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F)C

Isomeric SMILES

CCCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F)C

InChI

InChI=1S/C18H22F2N4O3S/c1-3-10-27-18-12-17(21-13(2)22-18)23-6-8-24(9-7-23)28(25,26)16-5-4-14(19)11-15(16)20/h4-5,11-12H,3,6-10H2,1-2H3