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

Systemtic Name: (phenylmethyl) 5-[[6-[(3-ethoxy-3-oxidanylidene-propyl)-(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]pentanoate Openeye Name: benzyl 5-[[6-[(3-ethoxy-3-oxo-propyl)-(2-furylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]pentanoate CAS Name: 5-[[6-[(3-ethoxy-3-oxopropyl)-(2-furanylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[6-[(3-ethoxy-3-oxopropyl)-(furan-2-ylmethyl)amino]-5-nitropyrimidin-4-yl]amino]pentanoate Traditional Name: 5-[[6-[(3-ethoxy-3-keto-propyl)-(2-furfuryl)amino]-5-nitro-pyrimidin-4-yl]amino]valeric acid benzyl ester Formula: C26H31N5O7 MolecularWeight: 525.55364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31N5O7/c1-2-36-23(33)13-15-30(17-21-11-8-16-37-21)26-24(31(34)35)25(28-19-29-26)27-14-7-6-12-22(32)38-18-20-9-4-3-5-10-20/h3-5,8-11,16,19H,2,6-7,12-15,17-18H2,1H3,(H,27,28,29)