N-(3-chloranyl-4-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)pteridin-4-amine

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)pteridin-4-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)pteridin-4-amine CAS Name: N-(3-chloro-4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-pteridinamine IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pteridin-4-amine Traditional Name: (3-chloro-4-methyl-phenyl)-[2-(4-methylpiperazin-4-ium-1-yl)pteridin-4-yl]amine Formula: C18H21ClN7+ MolecularWeight: 370.85924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC3=NC=CN=C32)N4CC[NH+](CC4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC3=NC=CN=C32)N4CC[NH+](CC4)C)Cl

InChI

InChI=1S/C18H20ClN7/c1-12-3-4-13(11-14(12)19)22-17-15-16(21-6-5-20-15)23-18(24-17)26-9-7-25(2)8-10-26/h3-6,11H,7-10H2,1-2H3,(H,21,22,23,24)/p+1