5-benzamido-1-tert-butyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

Systemtic Name: 5-benzamido-1-tert-butyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide Openeye Name: 5-benzamido-1-tert-butyl-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[3,4-d]thiazole-3-carboxamide CAS Name: 5-benzamido-1-tert-butyl-N-(2-oxolanylmethyl)-3-pyrazolo[3,4-d]thiazolecarboxamide IUPAC Name: 5-benzamido-1-tert-butyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide Traditional Name: 5-benzamido-1-tert-butyl-N-(tetrahydrofurfuryl)pyrazolo[3,4-d]thiazole-3-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C(=O)NCC3CCCO3)SC(=N2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C(=O)NCC3CCCO3)SC(=N2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3S/c1-21(2,3)26-17-16(15(25-26)19(28)22-12-14-10-7-11-29-14)30-20(23-17)24-18(27)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,22,28)(H,23,24,27)