N-[5-[[(2-methoxyphenyl)amino]methyl]-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-2-yl]octanamide

Systemtic Name: N-[5-[[(2-methoxyphenyl)amino]methyl]-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-2-yl]octanamide Openeye Name: N-[5-[(2-methoxyanilino)methyl]-4-oxo-pyrrolo[2,3-d]pyrimidin-2-yl]octanamide CAS Name: N-[5-[(2-methoxyanilino)methyl]-4-oxo-2-pyrrolo[2,3-d]pyrimidinyl]octanamide IUPAC Name: N-[5-[(2-methoxyanilino)methyl]-4-oxopyrrolo[2,3-d]pyrimidin-2-yl]octanamide Traditional Name: N-[4-keto-5-(o-anisidinomethyl)pyrrolo[2,3-d]pyrimidin-2-yl]caprylamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=NC(=O)C2=C(C=NC2=N1)CNC3=CC=CC=C3OC

Isomeric SMILES

CCCCCCCC(=O)NC1=NC(=O)C2=C(C=NC2=N1)CNC3=CC=CC=C3OC

InChI

InChI=1S/C22H27N5O3/c1-3-4-5-6-7-12-18(28)25-22-26-20-19(21(29)27-22)15(14-24-20)13-23-16-10-8-9-11-17(16)30-2/h8-11,14,23H,3-7,12-13H2,1-2H3,(H,25,27,28,29)