2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]ethanone Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H29ClN4OS/c1-3-26(4-2)20-15-19(23)24-22(25-20)29-16-21(28)27-12-10-18(11-13-27)14-17-8-6-5-7-9-17/h5-9,15,18H,3-4,10-14,16H2,1-2H3