ethyl (2E)-5-(4-dimethylaminophenyl)-7-methyl-2-[[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl (2E)-5-(4-dimethylaminophenyl)-7-methyl-2-[[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl (2E)-5-(4-dimethylaminophenyl)-7-methyl-2-[[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2E)-5-(4-dimethylaminophenyl)-7-methyl-2-[[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-5-(4-dimethylaminophenyl)-7-methyl-2-[[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2E)-5-(4-dimethylaminophenyl)-3-keto-7-methyl-2-[2-(4-methylpiperazino)-5-nitro-benzylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C30H34N6O5S MolecularWeight: 590.69316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=C(C=CC(=C4)[N+](=O)[O-])N5CCN(CC5)C)S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)/C(=C\C4=C(C=CC(=C4)[N+](=O)[O-])N5CCN(CC5)C)/S2)C

InChI

InChI=1S/C30H34N6O5S/c1-6-41-29(38)26-19(2)31-30-35(27(26)20-7-9-22(10-8-20)32(3)4)28(37)25(42-30)18-21-17-23(36(39)40)11-12-24(21)34-15-13-33(5)14-16-34/h7-12,17-18,27H,6,13-16H2,1-5H3/b25-18+