tert-butyl 4-[3-[(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(3-nitro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[(3-nitro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)amino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(4-keto-3-nitro-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N6O5 MolecularWeight: 432.47352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O5/c1-20(2,3)31-19(28)24-13-11-23(12-14-24)9-6-8-21-17-16(26(29)30)18(27)25-10-5-4-7-15(25)22-17/h4-5,7,10,21H,6,8-9,11-14H2,1-3H3