4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C18H22N8O MolecularWeight: 366.42028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C18H22N8O/c1-4-7-26-13-20-15-16(19)21-14(22-17(15)26)6-5-8-24-9-11-25(12-10-24)18(27)23(2)3/h1,13H,7-12H2,2-3H3,(H2,19,21,22)