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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(4-chlorobenzyl)-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C21H29ClN4O3S MolecularWeight: 452.99796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O3S/c1-4-13-30(27,28)26-11-9-25(10-12-26)21-19(14-17-5-7-18(22)8-6-17)20(15-29-3)23-16(2)24-21/h5-8H,4,9-15H2,1-3H3