[3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [3-[[[4-(dimethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [3-[[4-(dimethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [3-[[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5OS/c1-28(2)23-17-22(20-9-5-4-6-10-20)26-25(27-23)32-18-19-8-7-11-21(16-19)24(31)30-14-12-29(3)13-15-30/h4-11,16-17H,12-15,18H2,1-3H3