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

Systemtic Name: 2-[4-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(benzylamino)-9-isopropyl-purin-2-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(benzylamino)-9-isopropyl-purin-2-yl]piperazino]ethanol Formula: C21H29N7O MolecularWeight: 395.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCN(CC4)CCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCN(CC4)CCO

InChI

InChI=1S/C21H29N7O/c1-16(2)28-15-23-18-19(22-14-17-6-4-3-5-7-17)24-21(25-20(18)28)27-10-8-26(9-11-27)12-13-29/h3-7,15-16,29H,8-14H2,1-2H3,(H,22,24,25)