(E)-2-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-ol

Systemtic Name: (E)-2-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-ol Openeye Name: (E)-2-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-ol CAS Name: (E)-2-phenyl-4-(7H-purin-6-ylamino)-2-buten-1-ol IUPAC Name: (E)-2-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-ol Traditional Name: (E)-2-phenyl-4-(7H-purin-6-ylamino)but-2-en-1-ol Formula: C15H15N5O MolecularWeight: 281.3125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CCNC2=NC=NC3=C2NC=N3)CO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\CNC2=NC=NC3=C2NC=N3)/CO

InChI

InChI=1S/C15H15N5O/c21-8-12(11-4-2-1-3-5-11)6-7-16-14-13-15(18-9-17-13)20-10-19-14/h1-6,9-10,21H,7-8H2,(H2,16,17,18,19,20)/b12-6-