tert-butyl 4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)carbonyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)carbonyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2-pyrazin-2-ylthiazole-4-carbonyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[oxo-[2-(2-pyrazinyl)-4-thiazolyl]methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-pyrazin-2-ylthiazole-4-carbonyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CSC(=N2)C3=NC=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CSC(=N2)C3=NC=CN=C3

InChI

InChI=1S/C18H23N5O3S/c1-18(2,3)26-17(25)23-8-4-7-22(9-10-23)16(24)14-12-27-15(21-14)13-11-19-5-6-20-13/h5-6,11-12H,4,7-10H2,1-3H3