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

Systemtic Name: [2-[4-(2-hydroxyphenyl)carbonylpiperazin-1-yl]-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate Openeye Name: [2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate CAS Name: [2-[4-[(2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl]methanolate IUPAC Name: [2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl]methanolate Traditional Name: [5-nitro-2-(4-salicyloylpiperazino)-6-thiomorpholino-pyrimidin-4-yl]methanolate Formula: C20H23N6O5S- MolecularWeight: 459.49882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-])C(=O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CCN1C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-])C(=O)C4=CC=CC=C4O

InChI

InChI=1S/C20H23N6O5S/c27-13-15-17(26(30)31)18(23-9-11-32-12-10-23)22-20(21-15)25-7-5-24(6-8-25)19(29)14-3-1-2-4-16(14)28/h1-4,28H,5-13H2/q-1