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

Systemtic Name: N-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-[2-(dimethylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[2-(dimethylamino)-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-[2-(dimethylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2S/c1-12-10-16(17-11-30-21(22-17)25(3)4)13(2)27(12)24-19(28)18-14-8-6-7-9-15(14)20(29)26(5)23-18/h6-11H,1-5H3,(H,24,28)