tert-butyl 2-[[6-[4-(1H-indol-4-yl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[4-(1H-indol-4-yl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[4-(1H-indol-4-yl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[4-(1H-indol-4-yl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[4-(1H-indol-4-yl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[4-(1H-indol-4-yl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C23H29N7O4 MolecularWeight: 467.52086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC4=C3C=CN4

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC4=C3C=CN4

InChI

InChI=1S/C23H29N7O4/c1-23(2,3)34-19(31)14-27(4)21-20(30(32)33)22(26-15-25-21)29-12-10-28(11-13-29)18-7-5-6-17-16(18)8-9-24-17/h5-9,15,24H,10-14H2,1-4H3