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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C20H28N6O5 MolecularWeight: 432.47352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCN(CC3)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCN(CC3)C

InChI

InChI=1S/C20H28N6O5/c1-3-30-17(27)7-10-25(14-16-6-4-13-31-16)20-18(26(28)29)19(21-15-22-20)24-9-5-8-23(2)11-12-24/h4,6,13,15H,3,5,7-12,14H2,1-2H3