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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-(5-nitro-6-quinazolin-4-yloxy-pyrimidin-4-yl)amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-(5-nitro-6-quinazolin-4-yloxy-pyrimidin-4-yl)amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(4-quinazolinyloxy)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-(5-nitro-6-quinazolin-4-yloxypyrimidin-4-yl)amino]propanoate Traditional Name: 3-[2-furfuryl-(5-nitro-6-quinazolin-4-yloxy-pyrimidin-4-yl)amino]propionic acid ethyl ester Formula: C22H20N6O6 MolecularWeight: 464.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=NC=NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=NC=NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O6/c1-2-32-18(29)9-10-27(12-15-6-5-11-33-15)20-19(28(30)31)22(26-14-24-20)34-21-16-7-3-4-8-17(16)23-13-25-21/h3-8,11,13-14H,2,9-10,12H2,1H3