4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-5-[(4-methylphenyl)methyl]pyrimidine

Systemtic Name: 4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-5-[(4-methylphenyl)methyl]pyrimidine Openeye Name: 4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-5-(p-tolylmethyl)pyrimidine CAS Name: 4-ethyl-6-(4-ethylsulfonyl-1-piperazinyl)-2-methyl-5-[(4-methylphenyl)methyl]pyrimidine IUPAC Name: 4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-5-[(4-methylphenyl)methyl]pyrimidine Traditional Name: 4-(4-esylpiperazino)-6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidine Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC)CC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC)CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H30N4O2S/c1-5-20-19(15-18-9-7-16(3)8-10-18)21(23-17(4)22-20)24-11-13-25(14-12-24)28(26,27)6-2/h7-10H,5-6,11-15H2,1-4H3