6-[(2,4-dichlorophenyl)methyl]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-7H-purine

Systemtic Name: 6-[(2,4-dichlorophenyl)methyl]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-7H-purine Openeye Name: 6-[(2,4-dichlorophenyl)methyl]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-7H-purine CAS Name: 6-[(2,4-dichlorophenyl)methyl]-2-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-7H-purine IUPAC Name: 6-[(2,4-dichlorophenyl)methyl]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-7H-purine Traditional Name: 6-(2,4-dichlorobenzyl)-2-[4-(2-pyrrolidinoethyl)piperazino]-7H-purine Formula: C22H27Cl2N7 MolecularWeight: 460.40268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCN(CC2)C3=NC(=C4C(=N3)N=CN4)CC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(C1)CCN2CCN(CC2)C3=NC(=C4C(=N3)N=CN4)CC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H27Cl2N7/c23-17-4-3-16(18(24)14-17)13-19-20-21(26-15-25-20)28-22(27-19)31-11-9-30(10-12-31)8-7-29-5-1-2-6-29/h3-4,14-15H,1-2,5-13H2,(H,25,26,27,28)