(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C21H21N4O4S+ MolecularWeight: 425.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C21H20N4O4S/c1-2-3-6-9-25-19(27)16-8-5-4-7-15(16)18(23-25)20(28)29-13-14-12-17(26)24-10-11-30-21(24)22-14/h4-5,7-8,10-12H,2-3,6,9,13H2,1H3/p+1