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

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)N4C=CSC4=N3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)N4C=CSC4=N3

InChI

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