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

Systemtic Name: [3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4OS/c1-3-24(4-2)18-13-17(21)22-20(23-18)27-14-15-8-7-9-16(12-15)19(26)25-10-5-6-11-25/h7-9,12-13H,3-6,10-11,14H2,1-2H3