3-[9-(4-methylphenyl)-6-pyrrolidin-1-yl-purin-2-yl]phenol

Systemtic Name: 3-[9-(4-methylphenyl)-6-pyrrolidin-1-yl-purin-2-yl]phenol Openeye Name: 3-[9-(p-tolyl)-6-pyrrolidin-1-yl-purin-2-yl]phenol CAS Name: 3-[9-(4-methylphenyl)-6-(1-pyrrolidinyl)-2-purinyl]phenol IUPAC Name: 3-[9-(4-methylphenyl)-6-pyrrolidin-1-ylpurin-2-yl]phenol Traditional Name: 3-[9-(p-tolyl)-6-pyrrolidino-purin-2-yl]phenol Formula: C22H21N5O MolecularWeight: 371.43504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3N4CCCC4)C5=CC(=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3N4CCCC4)C5=CC(=CC=C5)O

InChI

InChI=1S/C22H21N5O/c1-15-7-9-17(10-8-15)27-14-23-19-21(26-11-2-3-12-26)24-20(25-22(19)27)16-5-4-6-18(28)13-16/h4-10,13-14,28H,2-3,11-12H2,1H3