9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-6-(furan-2-yl)purin-2-amine

Systemtic Name: 9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-6-(furan-2-yl)purin-2-amine Openeye Name: 9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-(2-furyl)purin-2-amine CAS Name: 9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-(2-furanyl)-2-purinamine IUPAC Name: 9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-(furan-2-yl)purin-2-amine Traditional Name: [9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-(2-furyl)purin-2-yl]amine Formula: C17H12ClN5O3 MolecularWeight: 369.76188

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=NC4=C(N=C(N=C43)N)C5=CC=CO5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=NC4=C(N=C(N=C43)N)C5=CC=CO5)Cl

InChI

InChI=1S/C17H12ClN5O3/c18-10-5-13-12(25-8-26-13)4-9(10)6-23-7-20-15-14(11-2-1-3-24-11)21-17(19)22-16(15)23/h1-5,7H,6,8H2,(H2,19,21,22)