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

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C20H19N4O4S+ MolecularWeight: 411.45426

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4C

InChI

InChI=1S/C20H18N4O4S/c1-3-8-23-18(26)15-7-5-4-6-14(15)17(22-23)19(27)28-10-13-9-16(25)24-12(2)11-29-20(24)21-13/h4-7,9,11H,3,8,10H2,1-2H3/p+1