4-[2-[[2-(1-methylpyrazol-4-yl)-9-propan-2-yl-purin-6-yl]amino]ethyl]phenol

Systemtic Name: 4-[2-[[2-(1-methylpyrazol-4-yl)-9-propan-2-yl-purin-6-yl]amino]ethyl]phenol Openeye Name: 4-[2-[[9-isopropyl-2-(1-methylpyrazol-4-yl)purin-6-yl]amino]ethyl]phenol CAS Name: 4-[2-[[2-(1-methyl-4-pyrazolyl)-9-propan-2-yl-6-purinyl]amino]ethyl]phenol IUPAC Name: 4-[2-[[2-(1-methylpyrazol-4-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[9-isopropyl-2-(1-methylpyrazol-4-yl)purin-6-yl]amino]ethyl]phenol Formula: C20H23N7O MolecularWeight: 377.44292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=CN(N=C4)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=CN(N=C4)C

InChI

InChI=1S/C20H23N7O/c1-13(2)27-12-22-17-19(21-9-8-14-4-6-16(28)7-5-14)24-18(25-20(17)27)15-10-23-26(3)11-15/h4-7,10-13,28H,8-9H2,1-3H3,(H,21,24,25)