2,6-bis(chloranyl)-8-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-7H-purine

Systemtic Name: 2,6-bis(chloranyl)-8-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-7H-purine Openeye Name: 2,6-dichloro-8-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-7H-purine CAS Name: 2,6-dichloro-8-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-7H-purine IUPAC Name: 2,6-dichloro-8-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-7H-purine Traditional Name: 2,6-dichloro-8-[3-(cyclopentoxy)-4-methoxy-benzyl]-7H-purine Formula: C18H18Cl2N4O2 MolecularWeight: 393.26712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(N2)C(=NC(=N3)Cl)Cl)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(N2)C(=NC(=N3)Cl)Cl)OC4CCCC4

InChI

InChI=1S/C18H18Cl2N4O2/c1-25-12-7-6-10(8-13(12)26-11-4-2-3-5-11)9-14-21-15-16(19)23-18(20)24-17(15)22-14/h6-8,11H,2-5,9H2,1H3,(H,21,22,23,24)