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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCN(CC1CC(C1)CCC2=CC=CC=C2)C3=NC(=NC=C3C#N)N

Isomeric SMILES

CC(=O)OCN(CC1CC(C1)CCC2=CC=CC=C2)C3=NC(=NC=C3C#N)N

InChI

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