6-[(2R)-2-[(2-chloranyl-5-methyl-phenoxy)methyl]pyrrolidin-1-yl]-7H-purine

Systemtic Name: 6-[(2R)-2-[(2-chloranyl-5-methyl-phenoxy)methyl]pyrrolidin-1-yl]-7H-purine Openeye Name: 6-[(2R)-2-[(2-chloro-5-methyl-phenoxy)methyl]pyrrolidin-1-yl]-7H-purine CAS Name: 6-[(2R)-2-[(2-chloro-5-methylphenoxy)methyl]-1-pyrrolidinyl]-7H-purine IUPAC Name: 6-[(2R)-2-[(2-chloro-5-methylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine Traditional Name: 6-[(2R)-2-[(2-chloro-5-methyl-phenoxy)methyl]pyrrolidino]-7H-purine Formula: C17H18ClN5O MolecularWeight: 343.81072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2CCCN2C3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC[C@H]2CCCN2C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H18ClN5O/c1-11-4-5-13(18)14(7-11)24-8-12-3-2-6-23(12)17-15-16(20-9-19-15)21-10-22-17/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,19,20,21,22)/t12-/m1/s1