2-[[4-[(4-chloranyl-2-methyl-phenyl)amino]pteridin-2-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(4-chloranyl-2-methyl-phenyl)amino]pteridin-2-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-chloro-2-methyl-anilino)pteridin-2-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(4-chloro-2-methylanilino)-2-pteridinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-chloro-2-methylanilino)pteridin-2-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(4-chloro-2-methyl-anilino)pteridin-2-yl]amino]ethyl-dimethyl-ammonium Formula: C17H21ClN7+ MolecularWeight: 358.84854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=NC(=NC3=NC=CN=C32)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=NC(=NC3=NC=CN=C32)NCC[NH+](C)C

InChI

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