(1R)-1-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]ethane-1,2-diol

Systemtic Name: (1R)-1-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]ethane-1,2-diol Openeye Name: (1R)-1-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]ethane-1,2-diol CAS Name: (1R)-1-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]ethane-1,2-diol IUPAC Name: (1R)-1-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]ethane-1,2-diol Traditional Name: (1R)-1-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]ethane-1,2-diol Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NC(CO)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)N[C@@H](CO)O

InChI

InChI=1S/C17H22N6O2/c1-11(2)23-10-19-14-15(18-8-12-6-4-3-5-7-12)21-17(22-16(14)23)20-13(25)9-24/h3-7,10-11,13,24-25H,8-9H2,1-2H3,(H2,18,20,21,22)/t13-/m1/s1