[4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexyl]methyl ethanoate

Systemtic Name: [4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexyl]methyl ethanoate Openeye Name: [4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexyl]methyl acetate CAS Name: acetic acid [4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]cyclohexyl]methyl ester IUPAC Name: [4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]cyclohexyl]methyl acetate Traditional Name: acetic acid [4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]cyclohexyl]methyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

Isomeric SMILES

CC(=O)OCC1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C20H23N5O2/c1-3-11-25-13-22-18-19(21)23-17(24-20(18)25)6-4-5-15-7-9-16(10-8-15)12-27-14(2)26/h1,13,15-16H,5,7-12H2,2H3,(H2,21,23,24)