2-[2-hydroxyethyl-[9-propan-2-yl-6-[(4-thiophen-2-ylphenyl)methylamino]purin-2-yl]amino]ethanol

Systemtic Name: 2-[2-hydroxyethyl-[9-propan-2-yl-6-[(4-thiophen-2-ylphenyl)methylamino]purin-2-yl]amino]ethanol Openeye Name: 2-[2-hydroxyethyl-[9-isopropyl-6-[[4-(2-thienyl)phenyl]methylamino]purin-2-yl]amino]ethanol CAS Name: 2-[2-hydroxyethyl-[9-propan-2-yl-6-[(4-thiophen-2-ylphenyl)methylamino]-2-purinyl]amino]ethanol IUPAC Name: 2-[2-hydroxyethyl-[9-propan-2-yl-6-[(4-thiophen-2-ylphenyl)methylamino]purin-2-yl]amino]ethanol Traditional Name: 2-[2-hydroxyethyl-[9-isopropyl-6-[[4-(2-thienyl)benzyl]amino]purin-2-yl]amino]ethanol Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CS4)N(CCO)CCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CS4)N(CCO)CCO

InChI

InChI=1S/C23H28N6O2S/c1-16(2)29-15-25-20-21(26-23(27-22(20)29)28(9-11-30)10-12-31)24-14-17-5-7-18(8-6-17)19-4-3-13-32-19/h3-8,13,15-16,30-31H,9-12,14H2,1-2H3,(H,24,26,27)