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

Systemtic Name: [4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[[[4-(dimethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-[[4-(dimethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[[[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=C(C=C2)CSC3=NC(=CC(=N3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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