(4-methylpiperazin-1-yl)-[4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[4-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[4-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]phenyl]methanone Traditional Name: (4-methylpiperazino)-[4-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]phenyl]methanone Formula: C28H34N6OS MolecularWeight: 502.67416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)N5CCN(CC5)C

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)N5CCN(CC5)C

InChI

InChI=1S/C28H34N6OS/c1-31-12-16-33(17-13-31)26-20-25(23-6-4-3-5-7-23)29-28(30-26)36-21-22-8-10-24(11-9-22)27(35)34-18-14-32(2)15-19-34/h3-11,20H,12-19,21H2,1-2H3