4-(6-aminopurin-9-yl)-2-[bis(chloranyl)methylidene]butan-1-ol

Systemtic Name: 4-(6-aminopurin-9-yl)-2-[bis(chloranyl)methylidene]butan-1-ol Openeye Name: 4-(6-aminopurin-9-yl)-2-(dichloromethylene)butan-1-ol CAS Name: 4-(6-aminopurin-9-yl)-2-(dichloromethylidene)-1-butanol IUPAC Name: 4-(6-aminopurin-9-yl)-2-(dichloromethylidene)butan-1-ol Traditional Name: 2-(2-adenin-9-ylethyl)-3,3-dichloro-prop-2-en-1-ol Formula: C10H11Cl2N5O MolecularWeight: 288.13324

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCC(=C(Cl)Cl)CO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCC(=C(Cl)Cl)CO

InChI

InChI=1S/C10H11Cl2N5O/c11-8(12)6(3-18)1-2-17-5-16-7-9(13)14-4-15-10(7)17/h4-5,18H,1-3H2,(H2,13,14,15)