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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(4-phenylbutylamino)-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C24H29N5O5 MolecularWeight: 467.51756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N5O5/c1-2-33-21(30)13-15-28(17-20-12-8-16-34-20)24-22(29(31)32)23(26-18-27-24)25-14-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12,16,18H,2,6-7,11,13-15,17H2,1H3,(H,25,26,27)