ditert-butyl 2-(4-phenylpiperazin-2-yl)imino-1,3-diazinane-1,3-dicarboxylate

Systemtic Name: ditert-butyl 2-(4-phenylpiperazin-2-yl)imino-1,3-diazinane-1,3-dicarboxylate Openeye Name: ditert-butyl 2-(4-phenylpiperazin-2-yl)iminohexahydropyrimidine-1,3-dicarboxylate CAS Name: 2-[(4-phenyl-2-piperazinyl)imino]-1,3-diazinane-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-phenylpiperazin-2-yl)imino-1,3-diazinane-1,3-dicarboxylate Traditional Name: 2-(4-phenylpiperazin-2-yl)iminohexahydropyrimidine-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=NC2CN(CCN2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C1=NC2CN(CCN2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

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