[4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazino]-(2-thienyl)methanone Formula: C29H37N7OS MolecularWeight: 531.71538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H37N7OS/c1-3-5-10-22(4-2)19-30-26-25-27(36(21-31-25)20-23-11-7-6-8-12-23)33-29(32-26)35-16-14-34(15-17-35)28(37)24-13-9-18-38-24/h6-9,11-13,18,21-22H,3-5,10,14-17,19-20H2,1-2H3,(H,30,32,33)