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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-[methyl(phenethyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[methyl(phenethyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[methyl(phenethyl)amino]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[methyl(phenethyl)amino]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[methyl(phenethyl)amino]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N(C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N(C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H27N5O5/c1-3-32-20(29)12-14-27(16-19-10-7-15-33-19)23-21(28(30)31)22(24-17-25-23)26(2)13-11-18-8-5-4-6-9-18/h4-10,15,17H,3,11-14,16H2,1-2H3