3-[[4-[(4-chlorophenyl)amino]pteridin-2-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(4-chlorophenyl)amino]pteridin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(4-chloroanilino)pteridin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-(4-chloroanilino)-2-pteridinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(4-chloroanilino)pteridin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(4-chloroanilino)pteridin-2-yl]amino]propyl-dimethyl-ammonium Formula: C17H21ClN7+ MolecularWeight: 358.84854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC2=NC=CN=C2C(=N1)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCCNC1=NC2=NC=CN=C2C(=N1)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN7/c1-25(2)11-3-8-21-17-23-15-14(19-9-10-20-15)16(24-17)22-13-6-4-12(18)5-7-13/h4-7,9-10H,3,8,11H2,1-2H3,(H2,20,21,22,23,24)/p+1