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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)pteridin-4-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)pteridin-4-amine CAS Name: N-(3-chloro-4-methylphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)-4-pteridinamine IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)pteridin-4-amine Traditional Name: (3-chloro-4-methyl-phenyl)-[2-(4-ethylpiperazin-4-ium-1-yl)pteridin-4-yl]amine Formula: C19H23ClN7+ MolecularWeight: 384.88582

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=NC=CN=C3C(=N2)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=NC=CN=C3C(=N2)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C19H22ClN7/c1-3-26-8-10-27(11-9-26)19-24-17-16(21-6-7-22-17)18(25-19)23-14-5-4-13(2)15(20)12-14/h4-7,12H,3,8-11H2,1-2H3,(H,22,23,24,25)/p+1