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

Systemtic Name: 2-[4-[9-(cyclopropylmethyl)-6-[(phenylmethyl)amino]purin-2-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(benzylamino)-9-(cyclopropylmethyl)purin-2-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[9-(cyclopropylmethyl)-6-[(phenylmethyl)amino]-2-purinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(benzylamino)-9-(cyclopropylmethyl)purin-2-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(benzylamino)-9-(cyclopropylmethyl)purin-2-yl]piperazino]ethanol Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)N5CCN(CC5)CCO

Isomeric SMILES

C1CC1CN2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)N5CCN(CC5)CCO

InChI

InChI=1S/C22H29N7O/c30-13-12-27-8-10-28(11-9-27)22-25-20(23-14-17-4-2-1-3-5-17)19-21(26-22)29(16-24-19)15-18-6-7-18/h1-5,16,18,30H,6-15H2,(H,23,25,26)