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

Systemtic Name: [4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[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=C(C=C2)C(=O)N3CCCC3)Cl

Isomeric SMILES

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

InChI

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