N-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-2-phenylmethoxy-ethanamide

Systemtic Name: N-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-2-phenylmethoxy-ethanamide Openeye Name: 2-benzyloxy-N-[4-[2-cyanoethyl(2-furylmethyl)amino]pyrimidin-5-yl]acetamide CAS Name: N-[4-[2-cyanoethyl(2-furanylmethyl)amino]-5-pyrimidinyl]-2-phenylmethoxyacetamide IUPAC Name: N-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-2-phenylmethoxyacetamide Traditional Name: 2-benzoxy-N-[4-[2-cyanoethyl(2-furfuryl)amino]pyrimidin-5-yl]acetamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(=O)NC2=CN=CN=C2N(CCC#N)CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)COCC(=O)NC2=CN=CN=C2N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C21H21N5O3/c22-9-5-10-26(13-18-8-4-11-29-18)21-19(12-23-16-24-21)25-20(27)15-28-14-17-6-2-1-3-7-17/h1-4,6-8,11-12,16H,5,10,13-15H2,(H,25,27)