2-[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purin-2-yl]oxybenzamide

Systemtic Name: 2-[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purin-2-yl]oxybenzamide Openeye Name: 2-[8-(3-amino-1-piperidyl)-7-but-2-ynyl-1-methyl-6-oxo-purin-2-yl]oxybenzamide CAS Name: 2-[[8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1-methyl-6-oxo-2-purinyl]oxy]benzamide IUPAC Name: 2-[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxopurin-2-yl]oxybenzamide Traditional Name: 2-[8-(3-aminopiperidino)-7-but-2-ynyl-6-keto-1-methyl-purin-2-yl]oxybenzamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C22H25N7O3/c1-3-4-12-29-17-19(25-21(29)28-11-7-8-14(23)13-28)26-22(27(2)20(17)31)32-16-10-6-5-9-15(16)18(24)30/h5-6,9-10,14H,7-8,11-13,23H2,1-2H3,(H2,24,30)