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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-6-(4-methylsulfonyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-6-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(4-mesylpiperazino)-6-(methoxymethyl)-2-phenyl-pyrimidine Formula: C26H32N4O3S MolecularWeight: 480.62228

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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)C4=CC=CC=C4)COC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4)COC

InChI

InChI=1S/C26H32N4O3S/c1-19-10-11-20(2)22(16-19)17-23-24(18-33-3)27-25(21-8-6-5-7-9-21)28-26(23)29-12-14-30(15-13-29)34(4,31)32/h5-11,16H,12-15,17-18H2,1-4H3