N-[2,5-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2,5-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2,5-dimethyl-3-[2-(methylamino)thiazol-4-yl]pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2,5-dimethyl-3-[2-(methylamino)-4-thiazolyl]-1-pyrrolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2,5-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2,5-dimethyl-3-[2-(methylamino)thiazol-4-yl]pyrrol-1-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C4=CSC(=N4)NC

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C4=CSC(=N4)NC

InChI

InChI=1S/C19H18N6O2S/c1-10-8-14(15-9-28-19(20-3)21-15)11(2)25(10)24-18(27)16-12-6-4-5-7-13(12)17(26)23-22-16/h4-9H,1-3H3,(H,20,21)(H,23,26)(H,24,27)