N-(3-chloranyl-4-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pteridin-4-amine

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pteridin-4-amine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N-(3-chloro-4-methyl-phenyl)pteridin-4-amine CAS Name: N-(3-chloro-4-methylphenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-pteridinamine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N-(3-chloro-4-methylphenyl)pteridin-4-amine Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)pteridin-4-yl]-(3-chloro-4-methyl-phenyl)amine Formula: C24H25ClN7+ MolecularWeight: 446.9552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC3=NC=CN=C32)N4CC[NH+](CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC3=NC=CN=C32)N4CC[NH+](CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C24H24ClN7/c1-17-7-8-19(15-20(17)25)28-23-21-22(27-10-9-26-21)29-24(30-23)32-13-11-31(12-14-32)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,27,28,29,30)/p+1