4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-(methoxymethyl)-5-(m-tolylmethyl)-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-(methoxymethyl)-5-(3-methylbenzyl)-2-phenyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C27H34N4O3S MolecularWeight: 494.64886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC(=C3)C)COC)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC(=C3)C)COC)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3S/c1-4-17-35(32,33)31-15-13-30(14-16-31)27-24(19-22-10-8-9-21(2)18-22)25(20-34-3)28-26(29-27)23-11-6-5-7-12-23/h5-12,18H,4,13-17,19-20H2,1-3H3