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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[methyl-(1-methyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[methyl-(1-methyl-4-piperidinyl)amino]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[methyl-(1-methyl-4-piperidyl)amino]-5-nitro-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-])N(C)C3CCN(CC3)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N(C)C3CCN(CC3)C

InChI

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