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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C20H23N5O5S/c1-2-29-17(26)8-10-24(13-15-5-3-11-30-15)20-18(25(27)28)19(22-14-23-20)21-9-7-16-6-4-12-31-16/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,21,22,23)