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

Systemtic Name: 3-[9-(4-methylphenyl)-6-piperidin-1-yl-purin-2-yl]phenol Openeye Name: 3-[6-(1-piperidyl)-9-(p-tolyl)purin-2-yl]phenol CAS Name: 3-[9-(4-methylphenyl)-6-(1-piperidinyl)-2-purinyl]phenol IUPAC Name: 3-[9-(4-methylphenyl)-6-piperidin-1-ylpurin-2-yl]phenol Traditional Name: 3-[6-piperidino-9-(p-tolyl)purin-2-yl]phenol Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3N4CCCCC4)C5=CC(=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3N4CCCCC4)C5=CC(=CC=C5)O

InChI

InChI=1S/C23H23N5O/c1-16-8-10-18(11-9-16)28-15-24-20-22(27-12-3-2-4-13-27)25-21(26-23(20)28)17-6-5-7-19(29)14-17/h5-11,14-15,29H,2-4,12-13H2,1H3