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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[(2-isopropoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[(2-oxo-2-propan-2-yloxyethyl)amino]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[(2-oxo-2-propan-2-yloxyethyl)amino]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[(2-isopropoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C19H25N5O7 MolecularWeight: 435.4311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O7/c1-4-29-15(25)7-8-23(11-14-6-5-9-30-14)19-17(24(27)28)18(21-12-22-19)20-10-16(26)31-13(2)3/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,20,21,22)