6-[2,4-bis(chloranyl)-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-chloranyl-7H-purine

Systemtic Name: 6-[2,4-bis(chloranyl)-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-chloranyl-7H-purine Openeye Name: 2-chloro-6-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-purine CAS Name: 2-chloro-6-[2,4-dichloro-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]-7H-purine IUPAC Name: 2-chloro-6-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-purine Traditional Name: 2-chloro-6-[2,4-dichloro-5-(2-pyrrolidinoethoxy)phenyl]-7H-purine Formula: C17H16Cl3N5O MolecularWeight: 412.70084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=C(C=C(C(=C2)C3=C4C(=NC(=N3)Cl)N=CN4)Cl)Cl

Isomeric SMILES

C1CCN(C1)CCOC2=C(C=C(C(=C2)C3=C4C(=NC(=N3)Cl)N=CN4)Cl)Cl

InChI

InChI=1S/C17H16Cl3N5O/c18-11-8-12(19)13(26-6-5-25-3-1-2-4-25)7-10(11)14-15-16(22-9-21-15)24-17(20)23-14/h7-9H,1-6H2,(H,21,22,23,24)