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

Systemtic Name: N-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-[2-(dimethylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-[2-(dimethylamino)-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-[2-(dimethylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O2S/c1-11-9-15(16-10-29-20(21-16)25(3)4)12(2)26(11)24-19(28)17-13-7-5-6-8-14(13)18(27)23-22-17/h5-10H,1-4H3,(H,23,27)(H,24,28)