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

Systemtic Name: ethyl 2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[benzyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[benzyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O4/c1-3-30-17(27)14-25(13-16-7-5-4-6-8-16)20-18(26(28)29)19(21-15-22-20)24-11-9-23(2)10-12-24/h4-8,15H,3,9-14H2,1-2H3