2-(4-methylsulfonyl-5-pyrimidin-5-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid

Systemtic Name: 2-(4-methylsulfonyl-5-pyrimidin-5-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid Openeye Name: 2-(4-methylsulfonyl-5-pyrimidin-5-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid CAS Name: 2-[4-methylsulfonyl-5-(5-pyrimidinylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-(4-methylsulfonyl-5-pyrimidin-5-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid Traditional Name: 2-[4-mesyl-5-(5-pyrimidylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CN=CN=C4

Isomeric SMILES

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CN=CN=C4

InChI

InChI=1S/C18H18N4O4S2/c1-28(25,26)13-4-5-21-18-15(13)17(27-12-8-19-10-20-9-12)16-11(7-14(23)24)3-2-6-22(16)18/h4-5,8-11H,2-3,6-7H2,1H3,(H,23,24)