[2-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl]methanolate IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl]methanolate Traditional Name: [2-(4-carbethoxypiperazino)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate Formula: C16H23N6O5S- MolecularWeight: 411.45602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-]

InChI

InChI=1S/C16H23N6O5S/c1-2-27-16(24)21-5-3-20(4-6-21)15-17-12(11-23)13(22(25)26)14(18-15)19-7-9-28-10-8-19/h2-11H2,1H3/q-1