4-ethyl-5-[(3-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-pyrimidine

Systemtic Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-pyrimidine Openeye Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-pyrimidine CAS Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-methylpyrimidine IUPAC Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine Traditional Name: 4-ethyl-5-(3-fluorobenzyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazino]-2-methyl-pyrimidine Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H29FN4O3S/c1-4-24-23(17-19-6-5-7-20(26)16-19)25(28-18(2)27-24)29-12-14-30(15-13-29)34(31,32)22-10-8-21(33-3)9-11-22/h5-11,16H,4,12-15,17H2,1-3H3