3-[[[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

Systemtic Name: 3-[[[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol Openeye Name: 3-[[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]methyl]cyclohexanol CAS Name: 3-[[[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]amino]methyl]-1-cyclohexanol IUPAC Name: 3-[[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol Traditional Name: 3-[[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]methyl]cyclohexanol Formula: C17H21ClN4O2 MolecularWeight: 348.82724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)O)CNC2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CC(CC(C1)O)CNC2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C17H21ClN4O2/c18-12-4-6-14(7-5-12)24-15-10-21-17(19)22-16(15)20-9-11-2-1-3-13(23)8-11/h4-7,10-11,13,23H,1-3,8-9H2,(H3,19,20,21,22)