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

Systemtic Name: (4-pyrimidin-4-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone hydrochloride Openeye Name: (4-pyrimidin-4-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone hydrochloride CAS Name: [4-(4-pyrimidinylthio)phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone hydrochloride IUPAC Name: (4-pyrimidin-4-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone hydrochloride Traditional Name: [4-(4-pyrimidylthio)phenyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone hydrochloride Formula: C20H25ClN4OS MolecularWeight: 404.9567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4OS.ClH/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;1H/t17-;/m0./s1