(phenylmethyl) (NE)-N-[4-butoxy-1-oxidanyl-6-(phenylmethoxycarbonylamino)pyrimidin-2-ylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[4-butoxy-1-oxidanyl-6-(phenylmethoxycarbonylamino)pyrimidin-2-ylidene]carbamate Openeye Name: benzyl (NE)-N-[6-(benzyloxycarbonylamino)-4-butoxy-1-hydroxy-pyrimidin-2-ylidene]carbamate CAS Name: (NE)-N-[4-butoxy-1-hydroxy-6-(phenylmethoxycarbonylamino)-2-pyrimidinylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[4-butoxy-1-hydroxy-6-(phenylmethoxycarbonylamino)pyrimidin-2-ylidene]carbamate Traditional Name: (NE)-N-[6-(benzyloxycarbonylamino)-4-butoxy-1-hydroxy-pyrimidin-2-ylidene]carbamic acid benzyl ester Formula: C24H26N4O6 MolecularWeight: 466.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC(=O)OCC2=CC=CC=C2)N(C(=C1)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCCOC1=N/C(=N\C(=O)OCC2=CC=CC=C2)/N(C(=C1)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C24H26N4O6/c1-2-3-14-32-21-15-20(25-23(29)33-16-18-10-6-4-7-11-18)28(31)22(26-21)27-24(30)34-17-19-12-8-5-9-13-19/h4-13,15,31H,2-3,14,16-17H2,1H3,(H,25,29)/b27-22+