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

Systemtic Name: [4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]phenyl]-piperidino-methanone Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4OS/c1-3-25(4-2)19-14-18(22)23-21(24-19)28-15-16-8-10-17(11-9-16)20(27)26-12-6-5-7-13-26/h8-11,14H,3-7,12-13,15H2,1-2H3