[1-[[(2-azanyl-5-cyano-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclobutyl]methyl ethanoate

Systemtic Name: [1-[[(2-azanyl-5-cyano-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclobutyl]methyl ethanoate Openeye Name: [1-[[(2-amino-5-cyano-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclobutyl]methyl acetate CAS Name: acetic acid [1-[[(2-amino-5-cyano-4-pyrimidinyl)amino]methyl]-3-phenethylcyclobutyl]methyl ester IUPAC Name: [1-[[(2-amino-5-cyanopyrimidin-4-yl)amino]methyl]-3-phenethylcyclobutyl]methyl acetate Traditional Name: acetic acid [1-[[(2-amino-5-cyano-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclobutyl]methyl ester Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CC(C1)CCC2=CC=CC=C2)CNC3=NC(=NC=C3C#N)N

Isomeric SMILES

CC(=O)OCC1(CC(C1)CCC2=CC=CC=C2)CNC3=NC(=NC=C3C#N)N

InChI

InChI=1S/C21H25N5O2/c1-15(27)28-14-21(13-25-19-18(11-22)12-24-20(23)26-19)9-17(10-21)8-7-16-5-3-2-4-6-16/h2-6,12,17H,7-10,13-14H2,1H3,(H3,23,24,25,26)