2-[[2-methyl-9-[(1-methylpiperidin-4-yl)methyl]-8-phenyl-purin-6-yl]amino]ethanol

Systemtic Name: 2-[[2-methyl-9-[(1-methylpiperidin-4-yl)methyl]-8-phenyl-purin-6-yl]amino]ethanol Openeye Name: 2-[[2-methyl-9-[(1-methyl-4-piperidyl)methyl]-8-phenyl-purin-6-yl]amino]ethanol CAS Name: 2-[[2-methyl-9-[(1-methyl-4-piperidinyl)methyl]-8-phenyl-6-purinyl]amino]ethanol IUPAC Name: 2-[[2-methyl-9-[(1-methylpiperidin-4-yl)methyl]-8-phenylpurin-6-yl]amino]ethanol Traditional Name: 2-[[2-methyl-9-[(1-methyl-4-piperidyl)methyl]-8-phenyl-purin-6-yl]amino]ethanol Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCCO)N=C(N2CC3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=N1)NCCO)N=C(N2CC3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6O/c1-15-23-19(22-10-13-28)18-21(24-15)27(14-16-8-11-26(2)12-9-16)20(25-18)17-6-4-3-5-7-17/h3-7,16,28H,8-14H2,1-2H3,(H,22,23,24)