ditert-butyl 2-[1-(2-aminophenyl)piperazin-2-ylidene]-1,3-diazinane-1,3-dicarboxylate

Systemtic Name: ditert-butyl 2-[1-(2-aminophenyl)piperazin-2-ylidene]-1,3-diazinane-1,3-dicarboxylate Openeye Name: ditert-butyl 2-[1-(2-aminophenyl)piperazin-2-ylidene]hexahydropyrimidine-1,3-dicarboxylate CAS Name: 2-[1-(2-aminophenyl)-2-piperazinylidene]-1,3-diazinane-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[1-(2-aminophenyl)piperazin-2-ylidene]-1,3-diazinane-1,3-dicarboxylate Traditional Name: 2-[1-(2-aminophenyl)piperazin-2-ylidene]hexahydropyrimidine-1,3-dicarboxylic acid ditert-butyl ester Formula: C24H37N5O4 MolecularWeight: 459.58168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(C1=C2CNCCN2C3=CC=CC=C3N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C1=C2CNCCN2C3=CC=CC=C3N)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H37N5O4/c1-23(2,3)32-21(30)28-13-9-14-29(22(31)33-24(4,5)6)20(28)19-16-26-12-15-27(19)18-11-8-7-10-17(18)25/h7-8,10-11,26H,9,12-16,25H2,1-6H3