tert-butyl 2-[[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[4-(3,4-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[4-(3,4-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C23H32N6O4 MolecularWeight: 456.53798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N(C)CC(=O)OC(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H32N6O4/c1-16-7-8-18(13-17(16)2)27-9-11-28(12-10-27)22-20(29(31)32)21(24-15-25-22)26(6)14-19(30)33-23(3,4)5/h7-8,13,15H,9-12,14H2,1-6H3