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

Systemtic Name: [4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazino]-(2-thienyl)methanone Formula: C24H25N7OS MolecularWeight: 459.5666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H25N7OS/c1-2-10-25-21-20-22(31(17-26-20)16-18-7-4-3-5-8-18)28-24(27-21)30-13-11-29(12-14-30)23(32)19-9-6-15-33-19/h2-9,15,17H,1,10-14,16H2,(H,25,27,28)