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

Systemtic Name: (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol Openeye Name: (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol CAS Name: (E)-2-methyl-4-(7H-purin-6-ylamino)-2-buten-1-ol IUPAC Name: (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol Traditional Name: (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol Formula: C20H26N10O2 MolecularWeight: 438.48624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H13N5O/c2*1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2*2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b2*7-2+