methyl 5-[6-[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate

Systemtic Name: methyl 5-[6-[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate Openeye Name: methyl 5-[6-[(3-ethoxy-3-oxo-propyl)-(2-furylmethyl)amino]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate CAS Name: 5-[[6-[(3-ethoxy-3-oxopropyl)-(2-furanylmethyl)amino]-5-nitro-4-pyrimidinyl]oxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[6-[(3-ethoxy-3-oxopropyl)-(furan-2-ylmethyl)amino]-5-nitropyrimidin-4-yl]oxypyridine-3-carboxylate Traditional Name: 5-[6-[(3-ethoxy-3-keto-propyl)-(2-furfuryl)amino]-5-nitro-pyrimidin-4-yl]oxynicotinic acid methyl ester Formula: C21H21N5O8 MolecularWeight: 471.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O8/c1-3-32-17(27)6-7-25(12-15-5-4-8-33-15)19-18(26(29)30)20(24-13-23-19)34-16-9-14(10-22-11-16)21(28)31-2/h4-5,8-11,13H,3,6-7,12H2,1-2H3