2-[[4-[(4-chlorophenyl)amino]pteridin-2-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(4-chlorophenyl)amino]pteridin-2-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-chloroanilino)pteridin-2-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(4-chloroanilino)-2-pteridinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-chloroanilino)pteridin-2-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(4-chloroanilino)pteridin-2-yl]amino]ethyl-dimethyl-ammonium Formula: C16H19ClN7+ MolecularWeight: 344.82196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=NC2=NC=CN=C2C(=N1)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCNC1=NC2=NC=CN=C2C(=N1)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN7/c1-24(2)10-9-20-16-22-14-13(18-7-8-19-14)15(23-16)21-12-5-3-11(17)4-6-12/h3-8H,9-10H2,1-2H3,(H2,19,20,21,22,23)/p+1