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

Systemtic Name: [4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H21ClN4OS/c1-22(2)16-11-15(19)20-18(21-16)25-12-13-5-7-14(8-6-13)17(24)23-9-3-4-10-23/h5-8,11H,3-4,9-10,12H2,1-2H3