1,9-bis(phenylmethyl)-6-thiophen-2-yl-purin-2-one

Systemtic Name: 1,9-bis(phenylmethyl)-6-thiophen-2-yl-purin-2-one Openeye Name: 1,9-dibenzyl-6-(2-thienyl)purin-2-one CAS Name: 1,9-bis(phenylmethyl)-6-thiophen-2-yl-2-purinone IUPAC Name: 1,9-dibenzyl-6-thiophen-2-ylpurin-2-one Traditional Name: 1,9-dibenzyl-6-(2-thienyl)purin-2-one Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N(C(=O)N=C32)CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N(C(=O)N=C32)CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C23H18N4OS/c28-23-25-22-20(24-16-26(22)14-17-8-3-1-4-9-17)21(19-12-7-13-29-19)27(23)15-18-10-5-2-6-11-18/h1-13,16H,14-15H2