5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-methyl-6-(4-methylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-ethyl-6-(4-mesylpiperazino)-2-methyl-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)C)CC3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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