[2-[[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] ethanoate

Systemtic Name: [2-[[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] ethanoate Openeye Name: [2-[[4-[2-cyanoethyl(2-furylmethyl)amino]pyrimidin-5-yl]amino]-2-oxo-1-phenyl-ethyl] acetate CAS Name: acetic acid [2-[[4-[2-cyanoethyl(2-furanylmethyl)amino]-5-pyrimidinyl]amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]amino]-2-oxo-1-phenylethyl] acetate Traditional Name: acetic acid [2-[[4-[2-cyanoethyl(2-furfuryl)amino]pyrimidin-5-yl]amino]-2-keto-1-phenyl-ethyl] ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c1-16(28)31-20(17-7-3-2-4-8-17)22(29)26-19-13-24-15-25-21(19)27(11-6-10-23)14-18-9-5-12-30-18/h2-5,7-9,12-13,15,20H,6,11,14H2,1H3,(H,26,29)