2-cyclopropyl-5-fluoranyl-4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-cyclopropyl-5-fluoranyl-4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopropyl-5-fluoro-6-methyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-cyclopropyl-5-fluoro-6-methylpyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopropyl-5-fluoro-6-methylpyrimidine Traditional Name: 4-(4-besylpiperazino)-2-cyclopropyl-5-fluoro-6-methyl-pyrimidine Formula: C18H21FN4O2S MolecularWeight: 376.448343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C18H21FN4O2S/c1-13-16(19)18(21-17(20-13)14-7-8-14)22-9-11-23(12-10-22)26(24,25)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3