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

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

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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)NC

Isomeric SMILES

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

InChI

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