1-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-8-yl]amino]ethanol

Systemtic Name: 1-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-8-yl]amino]ethanol Openeye Name: 1-[[6-(benzylamino)-9-isopropyl-purin-8-yl]amino]ethanol CAS Name: 1-[[6-[(phenylmethyl)amino]-9-propan-2-yl-8-purinyl]amino]ethanol IUPAC Name: 1-[[6-(benzylamino)-9-propan-2-ylpurin-8-yl]amino]ethanol Traditional Name: 1-[[6-(benzylamino)-9-isopropyl-purin-8-yl]amino]ethanol Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=NC=N2)NCC3=CC=CC=C3)N=C1NC(C)O

Isomeric SMILES

CC(C)N1C2=C(C(=NC=N2)NCC3=CC=CC=C3)N=C1NC(C)O

InChI

InChI=1S/C17H22N6O/c1-11(2)23-16-14(22-17(23)21-12(3)24)15(19-10-20-16)18-9-13-7-5-4-6-8-13/h4-8,10-12,24H,9H2,1-3H3,(H,21,22)(H,18,19,20)