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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(4-mesylpiperazino)-6-(methoxymethyl)-2-methyl-pyrimidine Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)S(=O)(=O)C)C)COC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)S(=O)(=O)C)C)COC

InChI

InChI=1S/C21H30N4O3S/c1-15-6-7-16(2)18(12-15)13-19-20(14-28-4)22-17(3)23-21(19)24-8-10-25(11-9-24)29(5,26)27/h6-7,12H,8-11,13-14H2,1-5H3