4-azanyl-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-pyridin-4-yl-ethyl]-N5-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-pyridin-4-yl-ethyl]-N5-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-oxo-1-(4-pyridyl)-2-(tetrahydrofuran-2-ylmethylamino)ethyl]-N5-(tetrahydrofuran-2-ylmethyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-oxolanylmethyl)-N5-[2-oxo-2-(2-oxolanylmethylamino)-1-pyridin-4-ylethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(oxolan-2-ylmethyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-keto-1-(4-pyridyl)-2-(tetrahydrofurfurylamino)ethyl]-N'-(tetrahydrofurfuryl)isothiazole-3,5-dicarboxamide Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(C2=CC=NC=C2)N(CC3CCCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CC(OC1)CNC(=O)C(C2=CC=NC=C2)N(CC3CCCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C22H28N6O5S/c23-16-17(20(24)29)27-34-19(16)22(31)28(12-15-4-2-10-33-15)18(13-5-7-25-8-6-13)21(30)26-11-14-3-1-9-32-14/h5-8,14-15,18H,1-4,9-12,23H2,(H2,24,29)(H,26,30)