tert-butyl 2,2-di(piperazin-1-yl)-2-(2-piperazin-2-yl-4H-pyrimidin-3-yl)ethanoate

Systemtic Name: tert-butyl 2,2-di(piperazin-1-yl)-2-(2-piperazin-2-yl-4H-pyrimidin-3-yl)ethanoate Openeye Name: tert-butyl 2,2-di(piperazin-1-yl)-2-(2-piperazin-2-yl-4H-pyrimidin-3-yl)acetate CAS Name: 2,2-bis(1-piperazinyl)-2-[2-(2-piperazinyl)-4H-pyrimidin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2,2-di(piperazin-1-yl)-2-(2-piperazin-2-yl-4H-pyrimidin-3-yl)acetate Traditional Name: 2,2-di(piperazino)-2-(2-piperazin-2-yl-4H-pyrimidin-3-yl)acetic acid tert-butyl ester Formula: C22H40N8O2 MolecularWeight: 448.6054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(N1CCNCC1)(N2CCNCC2)N3CC=CN=C3C4CNCCN4

Isomeric SMILES

CC(C)(C)OC(=O)C(N1CCNCC1)(N2CCNCC2)N3CC=CN=C3C4CNCCN4

InChI

InChI=1S/C22H40N8O2/c1-21(2,3)32-20(31)22(28-13-8-23-9-14-28,29-15-10-24-11-16-29)30-12-4-5-27-19(30)18-17-25-6-7-26-18/h4-5,18,23-26H,6-17H2,1-3H3