ethyl 3-[furan-2-ylmethyl-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-5-nitro-pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C22H21N5O6S MolecularWeight: 483.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC4=C(C=C3)SC(=N4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC4=C(C=C3)SC(=N4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O6S/c1-3-31-19(28)8-9-26(12-16-5-4-10-32-16)21-20(27(29)30)22(24-13-23-21)33-15-6-7-18-17(11-15)25-14(2)34-18/h4-7,10-11,13H,3,8-9,12H2,1-2H3