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7-but-2-ynyl-1-methyl-2-phenoxy-8-piperazin-1-yl-purin-6-one

7-but-2-ynyl-1-methyl-2-phenoxy-8-piperazin-1-yl-purin-6-one

Systemtic Name:7-but-2-ynyl-1-methyl-2-phenoxy-8-piperazin-1-yl-purin-6-one
Openeye Name:7-but-2-ynyl-1-methyl-2-phenoxy-8-piperazin-1-yl-purin-6-one
CAS Name:7-but-2-ynyl-1-methyl-2-phenoxy-8-(1-piperazinyl)-6-purinone
IUPAC Name:7-but-2-ynyl-1-methyl-2-phenoxy-8-piperazin-1-ylpurin-6-one
Traditional Name:7-but-2-ynyl-1-methyl-2-phenoxy-8-piperazino-purin-6-one
Formula: C20H22N6O2
MolecularWeight: 378.42768
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4


Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4


InChI

InChI=1S/C20H22N6O2/c1-3-4-12-26-16-17(22-19(26)25-13-10-21-11-14-25)23-20(24(2)18(16)27)28-15-8-6-5-7-9-15/h5-9,21H,10-14H2,1-2H3


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