2-[4-[6-[(phenylmethyl)amino]-9-prop-2-enyl-purin-2-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[(phenylmethyl)amino]-9-prop-2-enyl-purin-2-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[9-allyl-6-(benzylamino)purin-2-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(phenylmethyl)amino]-9-prop-2-enyl-2-purinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(benzylamino)-9-prop-2-enylpurin-2-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[9-allyl-6-(benzylamino)purin-2-yl]piperazino]ethanol Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCN(CC4)CCO

Isomeric SMILES

C=CCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCN(CC4)CCO

InChI

InChI=1S/C21H27N7O/c1-2-8-28-16-23-18-19(22-15-17-6-4-3-5-7-17)24-21(25-20(18)28)27-11-9-26(10-12-27)13-14-29/h2-7,16,29H,1,8-15H2,(H,22,24,25)