ethyl 3-[furan-2-ylmethyl-(5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-(5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-(5-nitro-6-thiomorpholino-pyrimidin-4-yl)amino]propanoate CAS Name: 3-[2-furanylmethyl-(5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-(5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl)amino]propanoate Traditional Name: 3-[2-furfuryl-(5-nitro-6-thiomorpholino-pyrimidin-4-yl)amino]propionic acid ethyl ester Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCSCC3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCSCC3

InChI

InChI=1S/C18H23N5O5S/c1-2-27-15(24)5-6-22(12-14-4-3-9-28-14)18-16(23(25)26)17(19-13-20-18)21-7-10-29-11-8-21/h3-4,9,13H,2,5-8,10-12H2,1H3