4-(2-azanyl-6-chloranyl-purin-9-yl)-3,3-bis(fluoranyl)-1-phenylmethoxy-butan-1-ol

Systemtic Name: 4-(2-azanyl-6-chloranyl-purin-9-yl)-3,3-bis(fluoranyl)-1-phenylmethoxy-butan-1-ol Openeye Name: 4-(2-amino-6-chloro-purin-9-yl)-1-benzyloxy-3,3-difluoro-butan-1-ol CAS Name: 4-(2-amino-6-chloro-9-purinyl)-3,3-difluoro-1-phenylmethoxy-1-butanol IUPAC Name: 4-(2-amino-6-chloropurin-9-yl)-3,3-difluoro-1-phenylmethoxybutan-1-ol Traditional Name: 4-(2-amino-6-chloro-purin-9-yl)-1-benzoxy-3,3-difluoro-butan-1-ol Formula: C16H16ClF2N5O2 MolecularWeight: 383.780346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(CC(CN2C=NC3=C2N=C(N=C3Cl)N)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)COC(CC(CN2C=NC3=C2N=C(N=C3Cl)N)(F)F)O

InChI

InChI=1S/C16H16ClF2N5O2/c17-13-12-14(23-15(20)22-13)24(9-21-12)8-16(18,19)6-11(25)26-7-10-4-2-1-3-5-10/h1-5,9,11,25H,6-8H2,(H2,20,22,23)