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

Systemtic Name: (E)-2-propan-2-yl-4-(7H-purin-6-ylamino)but-2-en-1-ol Openeye Name: (E)-2-isopropyl-4-(7H-purin-6-ylamino)but-2-en-1-ol CAS Name: (E)-2-propan-2-yl-4-(7H-purin-6-ylamino)-2-buten-1-ol IUPAC Name: (E)-2-propan-2-yl-4-(7H-purin-6-ylamino)but-2-en-1-ol Traditional Name: (E)-2-isopropyl-4-(7H-purin-6-ylamino)but-2-en-1-ol Formula: C12H17N5O MolecularWeight: 247.29628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CCNC1=NC=NC2=C1NC=N2)CO

Isomeric SMILES

CC(C)/C(=C\CNC1=NC=NC2=C1NC=N2)/CO

InChI

InChI=1S/C12H17N5O/c1-8(2)9(5-18)3-4-13-11-10-12(15-6-14-10)17-7-16-11/h3,6-8,18H,4-5H2,1-2H3,(H2,13,14,15,16,17)/b9-3-