8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-6-oxidanylidene-1-phenethyl-purine-2-carbonitrile

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-6-oxidanylidene-1-phenethyl-purine-2-carbonitrile Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-6-oxo-1-phenethyl-purine-2-carbonitrile CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-6-oxo-1-phenethyl-2-purinecarbonitrile IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-6-oxo-1-phenethylpurine-2-carbonitrile Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-6-keto-1-phenethyl-purine-2-carbonitrile Formula: C23H25N7O MolecularWeight: 415.4909

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)CCC3=CC=CC=C3)C#N)N=C1N4CCCC(C4)N

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)CCC3=CC=CC=C3)C#N)N=C1N4CCCC(C4)N

InChI

InChI=1S/C23H25N7O/c1-2-3-13-30-20-21(27-23(30)28-12-7-10-18(25)16-28)26-19(15-24)29(22(20)31)14-11-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14,16,25H2,1H3