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6-(2-phenylethynyl)-1,9-bis(phenylmethyl)-3,6-dihydropurin-2-one

6-(2-phenylethynyl)-1,9-bis(phenylmethyl)-3,6-dihydropurin-2-one

Systemtic Name:6-(2-phenylethynyl)-1,9-bis(phenylmethyl)-3,6-dihydropurin-2-one
Openeye Name:1,9-dibenzyl-6-(2-phenylethynyl)-3,6-dihydropurin-2-one
CAS Name:6-(2-phenylethynyl)-1,9-bis(phenylmethyl)-3,6-dihydropurin-2-one
IUPAC Name:1,9-dibenzyl-6-(2-phenylethynyl)-3,6-dihydropurin-2-one
Traditional Name:1,9-dibenzyl-6-(2-phenylethynyl)-3,6-dihydropurin-2-one
Formula: C27H22N4O
MolecularWeight: 418.48978
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2NC(=O)N(C3C#CC4=CC=CC=C4)CC5=CC=CC=C5


Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2NC(=O)N(C3C#CC4=CC=CC=C4)CC5=CC=CC=C5


InChI

InChI=1S/C27H22N4O/c32-27-29-26-25(28-20-30(26)18-22-12-6-2-7-13-22)24(17-16-21-10-4-1-5-11-21)31(27)19-23-14-8-3-9-15-23/h1-15,20,24H,18-19H2,(H,29,32)


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