4-methyl-2-phenyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-pyrimidine

Systemtic Name: 4-methyl-2-phenyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-5-isopropyl-6-methyl-2-phenyl-pyrimidine CAS Name: 4-methyl-2-phenyl-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-5-propan-2-ylpyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-6-methyl-2-phenyl-5-propan-2-ylpyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-5-isopropyl-6-methyl-2-phenyl-pyrimidine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H30N4O2S/c1-19(2)23-20(3)26-24(22-12-8-5-9-13-22)27-25(23)28-14-16-29(17-15-28)32(30,31)18-21-10-6-4-7-11-21/h4-13,19H,14-18H2,1-3H3