1-(6-azanyl-8-methyl-purin-9-yl)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(6-azanyl-8-methyl-purin-9-yl)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(6-amino-8-methyl-purin-9-yl)-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol CAS Name: 1-(6-amino-8-methyl-9-purinyl)-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(6-amino-8-methylpurin-9-yl)-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol Traditional Name: 1-(6-amino-8-methyl-purin-9-yl)-3-(4-benzhydrylpiperazino)propan-2-ol Formula: C26H31N7O MolecularWeight: 457.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O)N=CN=C2N

Isomeric SMILES

CC1=NC2=C(N1CC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O)N=CN=C2N

InChI

InChI=1S/C26H31N7O/c1-19-30-23-25(27)28-18-29-26(23)33(19)17-22(34)16-31-12-14-32(15-13-31)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18,22,24,34H,12-17H2,1H3,(H2,27,28,29)