(2S)-1-[6-azanyl-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanyl-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[6-azanyl-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanyl-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanyl-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[[6-amino-9-[2-(4-methylphenoxy)ethyl]-8-purinyl]thio]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanyl-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]thio]-3-phenoxy-propan-2-ol Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC(COC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SC[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C23H25N5O3S/c1-16-7-9-19(10-8-16)30-12-11-28-22-20(21(24)25-15-26-22)27-23(28)32-14-17(29)13-31-18-5-3-2-4-6-18/h2-10,15,17,29H,11-14H2,1H3,(H2,24,25,26)/t17-/m0/s1