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

Systemtic Name: [3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-piperidin-1-yl-methanone Openeye Name: [3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1-piperidyl)methanone CAS Name: [3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]phenyl]-piperidino-methanone Formula: C19H23ClN4OS MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCCC3)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCCC3)Cl

InChI

InChI=1S/C19H23ClN4OS/c1-23(2)17-12-16(20)21-19(22-17)26-13-14-7-6-8-15(11-14)18(25)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10,13H2,1-2H3