tert-butyl 4-chloranyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate

Systemtic Name: tert-butyl 4-chloranyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate Openeye Name: tert-butyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate CAS Name: 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate Traditional Name: 4-chloro-5,6,8,9-tetrahydropyrimid[4,5-d]azepine-7-carboxylic acid tert-butyl ester Formula: C13H18ClN3O2 MolecularWeight: 283.75392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)N=CN=C2Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)N=CN=C2Cl

InChI

InChI=1S/C13H18ClN3O2/c1-13(2,3)19-12(18)17-6-4-9-10(5-7-17)15-8-16-11(9)14/h8H,4-7H2,1-3H3