(E)-4-(6-aminopurin-9-yl)-3-bromanyl-2-phenyl-but-2-en-1-ol

Systemtic Name: (E)-4-(6-aminopurin-9-yl)-3-bromanyl-2-phenyl-but-2-en-1-ol Openeye Name: (E)-4-(6-aminopurin-9-yl)-3-bromo-2-phenyl-but-2-en-1-ol CAS Name: (E)-4-(6-aminopurin-9-yl)-3-bromo-2-phenyl-2-buten-1-ol IUPAC Name: (E)-4-(6-aminopurin-9-yl)-3-bromo-2-phenylbut-2-en-1-ol Traditional Name: (E)-4-adenin-9-yl-3-bromo-2-phenyl-but-2-en-1-ol Formula: C15H14BrN5O MolecularWeight: 360.20856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(CN2C=NC3=C2N=CN=C3N)Br)CO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/CN2C=NC3=C2N=CN=C3N)\Br)/CO

InChI

InChI=1S/C15H14BrN5O/c16-12(11(7-22)10-4-2-1-3-5-10)6-21-9-20-13-14(17)18-8-19-15(13)21/h1-5,8-9,22H,6-7H2,(H2,17,18,19)/b12-11-