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7-but-2-ynyl-9-methyl-2-phenoxy-6-piperazin-1-yl-purin-8-one

7-but-2-ynyl-9-methyl-2-phenoxy-6-piperazin-1-yl-purin-8-one

Systemtic Name:7-but-2-ynyl-9-methyl-2-phenoxy-6-piperazin-1-yl-purin-8-one
Openeye Name:7-but-2-ynyl-9-methyl-2-phenoxy-6-piperazin-1-yl-purin-8-one
CAS Name:7-but-2-ynyl-9-methyl-2-phenoxy-6-(1-piperazinyl)-8-purinone
IUPAC Name:7-but-2-ynyl-9-methyl-2-phenoxy-6-piperazin-1-ylpurin-8-one
Traditional Name:7-but-2-ynyl-9-methyl-2-phenoxy-6-piperazino-purin-8-one
Formula: C20H22N6O2
MolecularWeight: 378.42768
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC4=CC=CC=C4)N(C1=O)C


Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC4=CC=CC=C4)N(C1=O)C


InChI

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


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