2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]butane-1,4-diol

Systemtic Name: 2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]butane-1,4-diol Openeye Name: 2-[(2-amino-6-chloro-purin-9-yl)methyl]butane-1,4-diol CAS Name: 2-[(2-amino-6-chloro-9-purinyl)methyl]butane-1,4-diol IUPAC Name: 2-[(2-amino-6-chloropurin-9-yl)methyl]butane-1,4-diol Traditional Name: 2-[(2-amino-6-chloro-purin-9-yl)methyl]butane-1,4-diol Formula: C10H14ClN5O2 MolecularWeight: 271.70346

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CCO)CO)N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1CC(CCO)CO)N=C(N=C2Cl)N

InChI

InChI=1S/C10H14ClN5O2/c11-8-7-9(15-10(12)14-8)16(5-13-7)3-6(4-18)1-2-17/h5-6,17-18H,1-4H2,(H2,12,14,15)