2-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[(1S)-2-keto-1-phenyl-2-piperidino-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O2S/c1-2-9-16-14-17(24)22-20(21-16)26-18(15-10-5-3-6-11-15)19(25)23-12-7-4-8-13-23/h3,5-6,10-11,14,18H,2,4,7-9,12-13H2,1H3,(H,21,22,24)/t18-/m0/s1