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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine CAS Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-6-(4-methylsulfonyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-6-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 5-(4-chlorobenzyl)-4-(4-mesylpiperazino)-6-(methoxymethyl)-2-phenyl-pyrimidine Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O3S/c1-32-17-22-21(16-18-8-10-20(25)11-9-18)24(27-23(26-22)19-6-4-3-5-7-19)28-12-14-29(15-13-28)33(2,30)31/h3-11H,12-17H2,1-2H3