2-[(2-chloranyl-9-propan-2-yl-purin-6-yl)amino]-2-phenyl-ethanol

Systemtic Name: 2-[(2-chloranyl-9-propan-2-yl-purin-6-yl)amino]-2-phenyl-ethanol Openeye Name: 2-[(2-chloro-9-isopropyl-purin-6-yl)amino]-2-phenyl-ethanol CAS Name: 2-[(2-chloro-9-propan-2-yl-6-purinyl)amino]-2-phenylethanol IUPAC Name: 2-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-2-phenylethanol Traditional Name: 2-[(2-chloro-9-isopropyl-purin-6-yl)amino]-2-phenyl-ethanol Formula: C16H18ClN5O MolecularWeight: 331.80002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC(CO)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC(CO)C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H18ClN5O/c1-10(2)22-9-18-13-14(20-16(17)21-15(13)22)19-12(8-23)11-6-4-3-5-7-11/h3-7,9-10,12,23H,8H2,1-2H3,(H,19,20,21)