tert-butyl N-[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]carbamate Openeye Name: tert-butyl N-[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]carbamate CAS Name: N-[4-[1,3-benzothiazol-2-yl(cyano)methyl]-2-pyrimidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]carbamate Traditional Name: N-[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]carbamic acid tert-butyl ester Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N5O2S/c1-18(2,3)25-17(24)23-16-20-9-8-12(22-16)11(10-19)15-21-13-6-4-5-7-14(13)26-15/h4-9,11H,1-3H3,(H,20,22,23,24)