ethyl 1-[6-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(3-cyano-2-pyrazinyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(3-cyanopyrazin-2-yl)piperazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H25N9O4 MolecularWeight: 467.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=NC=CN=C4C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=NC=CN=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N9O4/c1-2-34-21(31)15-3-7-27(8-4-15)19-17(30(32)33)20(26-14-25-19)29-11-9-28(10-12-29)18-16(13-22)23-5-6-24-18/h5-6,14-15H,2-4,7-12H2,1H3