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

Systemtic Name: N-[3-[2-(butylamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-[2-(butylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-[2-(butylamino)-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-[2-(butylamino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-[2-(butylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=CS1)C2=C(N(C(=C2)C)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCCCNC1=NC(=CS1)C2=C(N(C(=C2)C)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H24N6O2S/c1-4-5-10-23-22-24-18(12-31-22)17-11-13(2)28(14(17)3)27-21(30)19-15-8-6-7-9-16(15)20(29)26-25-19/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24)(H,26,29)(H,27,30)