methyl 6-[[6-[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]hexanoate

Systemtic Name: methyl 6-[[6-[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]hexanoate Openeye Name: methyl 6-[[6-[(3-ethoxy-3-oxo-propyl)-(2-furylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]hexanoate CAS Name: 6-[[6-[(3-ethoxy-3-oxopropyl)-(2-furanylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[6-[(3-ethoxy-3-oxopropyl)-(furan-2-ylmethyl)amino]-5-nitropyrimidin-4-yl]amino]hexanoate Traditional Name: 6-[[6-[(3-ethoxy-3-keto-propyl)-(2-furfuryl)amino]-5-nitro-pyrimidin-4-yl]amino]hexanoic acid methyl ester Formula: C21H29N5O7 MolecularWeight: 463.48426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O7/c1-3-32-18(28)10-12-25(14-16-8-7-13-33-16)21-19(26(29)30)20(23-15-24-21)22-11-6-4-5-9-17(27)31-2/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H,22,23,24)