ethyl 3-[[6-(1-adamantylmethylamino)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-(1-adamantylmethylamino)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(1-adamantylmethylamino)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(1-adamantylmethylamino)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(1-adamantylmethylamino)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(1-adamantylmethylamino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C25H33N5O5 MolecularWeight: 483.56002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N5O5/c1-2-34-21(31)5-6-29(14-20-4-3-7-35-20)24-22(30(32)33)23(27-16-28-24)26-15-25-11-17-8-18(12-25)10-19(9-17)13-25/h3-4,7,16-19H,2,5-6,8-15H2,1H3,(H,26,27,28)