N-[1-tert-butyl-3-(4-methylpiperazin-1-yl)carbonyl-pyrazolo[3,4-d][1,3]thiazol-5-yl]benzamide

Systemtic Name: N-[1-tert-butyl-3-(4-methylpiperazin-1-yl)carbonyl-pyrazolo[3,4-d][1,3]thiazol-5-yl]benzamide Openeye Name: N-[1-tert-butyl-3-(4-methylpiperazine-1-carbonyl)pyrazolo[3,4-d]thiazol-5-yl]benzamide CAS Name: N-[1-tert-butyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-5-pyrazolo[3,4-d]thiazolyl]benzamide IUPAC Name: N-[1-tert-butyl-3-(4-methylpiperazine-1-carbonyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]benzamide Traditional Name: N-[1-tert-butyl-3-(4-methylpiperazine-1-carbonyl)pyrazolo[3,4-d]thiazol-5-yl]benzamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C(=O)N3CCN(CC3)C)SC(=N2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C(=O)N3CCN(CC3)C)SC(=N2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6O2S/c1-21(2,3)27-17-16(15(24-27)19(29)26-12-10-25(4)11-13-26)30-20(22-17)23-18(28)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H,22,23,28)