4-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-(m-tolylmethyl)pyrimidine CAS Name: 4-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-6-(4-methylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-6-(4-mesylpiperazino)-2-methyl-5-(3-methylbenzyl)pyrimidine Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-5-19-18(14-17-8-6-7-15(2)13-17)20(22-16(3)21-19)23-9-11-24(12-10-23)27(4,25)26/h6-8,13H,5,9-12,14H2,1-4H3