(4-pyrimidin-4-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone dihydrochloride

Systemtic Name: (4-pyrimidin-4-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone dihydrochloride Openeye Name: (4-pyrimidin-4-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone dihydrochloride CAS Name: [4-(4-pyrimidinylthio)phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone dihydrochloride IUPAC Name: (4-pyrimidin-4-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone dihydrochloride Traditional Name: [4-(4-pyrimidylthio)phenyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone dihydrochloride Formula: C20H26Cl2N4OS MolecularWeight: 441.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)C3=CC=C(C=C3)SC4=NC=NC=C4.Cl.Cl

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)SC4=NC=NC=C4.Cl.Cl

InChI

InChI=1S/C20H24N4OS.2ClH/c25-20(24-13-3-4-17(24)14-23-11-1-2-12-23)16-5-7-18(8-6-16)26-19-9-10-21-15-22-19;;/h5-10,15,17H,1-4,11-14H2;2*1H/t17-;;/m0../s1