[5-chloranyl-6-[4-(4-propylsulfanylpyrimidin-2-yl)oxypiperidin-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-chloranyl-6-[4-(4-propylsulfanylpyrimidin-2-yl)oxypiperidin-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-chloro-6-[4-(4-propylsulfanylpyrimidin-2-yl)oxy-1-piperidyl]-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [5-chloro-6-[4-[[4-(propylthio)-2-pyrimidinyl]oxy]-1-piperidinyl]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-chloro-6-[4-(4-propylsulfanylpyrimidin-2-yl)oxypiperidin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-chloro-6-[4-[4-(propylthio)pyrimidin-2-yl]oxypiperidino]-3-pyridyl]-pyrrolidino-methanone Formula: C22H28ClN5O2S MolecularWeight: 462.00802

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC=C1)OC2CCN(CC2)C3=C(C=C(C=N3)C(=O)N4CCCC4)Cl

Isomeric SMILES

CCCSC1=NC(=NC=C1)OC2CCN(CC2)C3=C(C=C(C=N3)C(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H28ClN5O2S/c1-2-13-31-19-5-8-24-22(26-19)30-17-6-11-27(12-7-17)20-18(23)14-16(15-25-20)21(29)28-9-3-4-10-28/h5,8,14-15,17H,2-4,6-7,9-13H2,1H3