methyl 2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]thiazole-5-carboxylate CAS Name: 2-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]thiazole-5-carboxylic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)C(=O)OC

InChI

InChI=1S/C19H20N4O4S/c1-3-4-7-10-23-17(25)13-9-6-5-8-12(13)15(22-23)16(24)21-19-20-11-14(28-19)18(26)27-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,20,21,24)