2-[4-[4-[(4-chlorophenyl)amino]pteridin-2-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)amino]pteridin-2-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-(4-chloroanilino)pteridin-2-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-(4-chloroanilino)-2-pteridinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-(4-chloroanilino)pteridin-2-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-(4-chloroanilino)pteridin-2-yl]piperazin-1-ium-1-yl]ethanol Formula: C18H21ClN7O+ MolecularWeight: 386.85864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=NC3=NC=CN=C3C(=N2)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=NC3=NC=CN=C3C(=N2)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN7O/c19-13-1-3-14(4-2-13)22-17-15-16(21-6-5-20-15)23-18(24-17)26-9-7-25(8-10-26)11-12-27/h1-6,27H,7-12H2,(H,21,22,23,24)/p+1