3-(4-pyrimidin-2-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

Systemtic Name: 3-(4-pyrimidin-2-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine Openeye Name: 3-(4-pyrimidin-2-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine CAS Name: 3-[4-(2-pyrimidinylthio)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine IUPAC Name: 3-(4-pyrimidin-2-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine Traditional Name: 3-[4-(2-pyrimidylthio)phenyl]indolizidine Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(C1)CCC2C3=CC=C(C=C3)SC4=NC=CC=N4

Isomeric SMILES

C1CCN2C(C1)CCC2C3=CC=C(C=C3)SC4=NC=CC=N4

InChI

InChI=1S/C18H21N3S/c1-2-13-21-15(4-1)7-10-17(21)14-5-8-16(9-6-14)22-18-19-11-3-12-20-18/h3,5-6,8-9,11-12,15,17H,1-2,4,7,10,13H2