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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[3-(1-pyrrolidinyl)propylamino]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-(3-pyrrolidinopropylamino)pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C21H30N6O5 MolecularWeight: 446.5001

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCCC3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCCC3

InChI

InChI=1S/C21H30N6O5/c1-2-31-18(28)8-13-26(15-17-7-5-14-32-17)21-19(27(29)30)20(23-16-24-21)22-9-6-12-25-10-3-4-11-25/h5,7,14,16H,2-4,6,8-13,15H2,1H3,(H,22,23,24)