7-but-2-ynyl-1-methyl-2-(2-morpholin-4-ylcarbonylphenoxy)-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-2-(2-morpholin-4-ylcarbonylphenoxy)-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-2-[2-(morpholine-4-carbonyl)phenoxy]-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-[2-[4-morpholinyl(oxo)methyl]phenoxy]-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-2-[2-(morpholine-4-carbonyl)phenoxy]-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-2-[2-(morpholine-4-carbonyl)phenoxy]-8-piperazino-purin-6-one Formula: C25H29N7O4 MolecularWeight: 491.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N5CCOCC5

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N5CCOCC5

InChI

InChI=1S/C25H29N7O4/c1-3-4-11-32-20-21(27-24(32)31-12-9-26-10-13-31)28-25(29(2)23(20)34)36-19-8-6-5-7-18(19)22(33)30-14-16-35-17-15-30/h5-8,26H,9-17H2,1-2H3