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

Systemtic Name: 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-N-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-N-isopropyl-N-methyl-piperazine-1-carboxamide CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-N-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]-N-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]-N-isopropyl-N-methyl-piperazine-1-carboxamide Formula: C20H26N8O MolecularWeight: 394.47344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N8O/c1-5-8-28-14-22-17-18(21)23-16(24-19(17)28)7-6-9-26-10-12-27(13-11-26)20(29)25(4)15(2)3/h1,14-15H,8-13H2,2-4H3,(H2,21,23,24)