ethyl 2-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-(phenylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[benzyl-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]acetate CAS Name: 2-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[benzyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C24H27N7O4 MolecularWeight: 477.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H27N7O4/c1-2-35-21(32)17-30(16-19-8-4-3-5-9-19)24-22(31(33)34)23(26-18-27-24)29-14-12-28(13-15-29)20-10-6-7-11-25-20/h3-11,18H,2,12-17H2,1H3