1-[4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-1-piperidyl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-piperidinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]piperidin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]piperidino]-2,2-dimethyl-propan-1-one Formula: C21H26N6O MolecularWeight: 378.47074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C21H26N6O/c1-5-11-27-14-23-17-18(22)24-16(25-19(17)27)8-6-7-15-9-12-26(13-10-15)20(28)21(2,3)4/h1,14-15H,7,9-13H2,2-4H3,(H2,22,24,25)