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

Systemtic Name: [4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]phenyl]-piperidino-methanone Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C21H25ClN4OS/c22-18-14-19(25-10-4-5-11-25)24-21(23-18)28-15-16-6-8-17(9-7-16)20(27)26-12-2-1-3-13-26/h6-9,14H,1-5,10-13,15H2