tert-butyl 2-cyclopropyl-4-ethoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate

Systemtic Name: tert-butyl 2-cyclopropyl-4-ethoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate Openeye Name: tert-butyl 2-cyclopropyl-4-ethoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate CAS Name: 2-cyclopropyl-4-ethoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyclopropyl-4-ethoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate Traditional Name: 2-cyclopropyl-4-ethoxy-5,6,8,9-tetrahydropyrimid[4,5-d]azepine-7-carboxylic acid tert-butyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC2=C1CCN(CC2)C(=O)OC(C)(C)C)C3CC3

Isomeric SMILES

CCOC1=NC(=NC2=C1CCN(CC2)C(=O)OC(C)(C)C)C3CC3

InChI

InChI=1S/C18H27N3O3/c1-5-23-16-13-8-10-21(17(22)24-18(2,3)4)11-9-14(13)19-15(20-16)12-6-7-12/h12H,5-11H2,1-4H3