ethyl 1-[6-[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(3-ethoxy-3-oxo-propyl)-(2-furylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(3-ethoxy-3-oxopropyl)-(2-furanylmethyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(3-ethoxy-3-oxopropyl)-(furan-2-ylmethyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(3-ethoxy-3-keto-propyl)-(2-furfuryl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H29N5O7 MolecularWeight: 475.49496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C22H29N5O7/c1-3-32-18(28)9-12-26(14-17-6-5-13-34-17)21-19(27(30)31)20(23-15-24-21)25-10-7-16(8-11-25)22(29)33-4-2/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3