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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-[(2-methoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[(2-methoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[(2-methoxy-2-oxoethyl)amino]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[(2-methoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[(2-keto-2-methoxy-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C17H21N5O7 MolecularWeight: 407.37794

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O7/c1-3-28-13(23)6-7-21(10-12-5-4-8-29-12)17-15(22(25)26)16(19-11-20-17)18-9-14(24)27-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,18,19,20)