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

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)N4C(=CSC4=N3)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)N4C(=CSC4=N3)C

InChI

InChI=1S/C22H22N4O4S/c1-3-4-7-10-25-20(28)17-9-6-5-8-16(17)19(24-25)21(29)30-12-15-11-18(27)26-14(2)13-31-22(26)23-15/h5-6,8-9,11,13H,3-4,7,10,12H2,1-2H3