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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(4-chlorobenzyl)-4-(4-mesylpiperazino)-6-(methoxymethyl)-2-methyl-pyrimidine Formula: C19H25ClN4O3S MolecularWeight: 424.9448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CCN(CC2)S(=O)(=O)C)CC3=CC=C(C=C3)Cl)COC

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCN(CC2)S(=O)(=O)C)CC3=CC=C(C=C3)Cl)COC

InChI

InChI=1S/C19H25ClN4O3S/c1-14-21-18(13-27-2)17(12-15-4-6-16(20)7-5-15)19(22-14)23-8-10-24(11-9-23)28(3,25)26/h4-7H,8-13H2,1-3H3