3-cyclopentyl-1-[4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazin-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 3-cyclopentyl-1-[4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazino]-3-cyclopentyl-propan-1-one Formula: C27H35N7O MolecularWeight: 473.6131

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)CCC5CCCC5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)CCC5CCCC5

InChI

InChI=1S/C27H35N7O/c1-2-14-28-25-24-26(34(20-29-24)19-22-10-4-3-5-11-22)31-27(30-25)33-17-15-32(16-18-33)23(35)13-12-21-8-6-7-9-21/h2-5,10-11,20-21H,1,6-9,12-19H2,(H,28,30,31)