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

Systemtic Name: ethyl 4-[[6-[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[(3-ethoxy-3-oxo-propyl)-(2-furylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[(3-ethoxy-3-oxopropyl)-(2-furanylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(3-ethoxy-3-oxopropyl)-(furan-2-ylmethyl)amino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[(3-ethoxy-3-keto-propyl)-(2-furfuryl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H30N6O7 MolecularWeight: 490.5096

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-])NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H30N6O7/c1-3-33-18(29)9-12-27(14-17-6-5-13-35-17)21-19(28(31)32)20(23-15-24-21)25-16-7-10-26(11-8-16)22(30)34-4-2/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H,23,24,25)