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

Systemtic Name: ethyl 2-[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[benzyl-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[benzyl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C26H30N6O4 MolecularWeight: 490.5542

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N6O4/c1-2-36-23(33)19-31(18-22-11-7-4-8-12-22)26-24(32(34)35)25(27-20-28-26)30-15-13-29(14-16-30)17-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3