4-(7H-purin-6-ylamino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol chloride

Systemtic Name: 4-(7H-purin-6-ylamino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol chloride Openeye Name: 4-(7H-purin-6-ylamino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol chloride CAS Name: 4-(7H-purin-6-ylamino)-2,6-bis(1-pyrrolidinylmethyl)phenol chloride IUPAC Name: 4-(7H-purin-6-ylamino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol chloride Traditional Name: 4-(7H-purin-6-ylamino)-2,6-bis(pyrrolidinomethyl)phenol chloride Formula: C21H27ClN7O- MolecularWeight: 428.93838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=NC=NC5=C4NC=N5.[Cl-]

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=NC=NC5=C4NC=N5.[Cl-]

InChI

InChI=1S/C21H27N7O.ClH/c29-19-15(11-27-5-1-2-6-27)9-17(10-16(19)12-28-7-3-4-8-28)26-21-18-20(23-13-22-18)24-14-25-21;/h9-10,13-14,29H,1-8,11-12H2,(H2,22,23,24,25,26);1H/p-1