8-[3-chloranyl-4-(3-phenoxypropoxy)phenyl]-7H-purin-6-amine

Systemtic Name: 8-[3-chloranyl-4-(3-phenoxypropoxy)phenyl]-7H-purin-6-amine Openeye Name: 8-[3-chloro-4-(3-phenoxypropoxy)phenyl]-7H-purin-6-amine CAS Name: 8-[3-chloro-4-(3-phenoxypropoxy)phenyl]-7H-purin-6-amine IUPAC Name: 8-[3-chloro-4-(3-phenoxypropoxy)phenyl]-7H-purin-6-amine Traditional Name: [8-[3-chloro-4-(3-phenoxypropoxy)phenyl]-7H-purin-6-yl]amine Formula: C20H18ClN5O2 MolecularWeight: 395.84222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N)Cl

InChI

InChI=1S/C20H18ClN5O2/c21-15-11-13(19-25-17-18(22)23-12-24-20(17)26-19)7-8-16(15)28-10-4-9-27-14-5-2-1-3-6-14/h1-3,5-8,11-12H,4,9-10H2,(H3,22,23,24,25,26)