2-[4-[4-[(4-chloranyl-2-methyl-phenyl)amino]pteridin-2-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-[(4-chloranyl-2-methyl-phenyl)amino]pteridin-2-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-(4-chloro-2-methyl-anilino)pteridin-2-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-(4-chloro-2-methylanilino)-2-pteridinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-(4-chloro-2-methylanilino)pteridin-2-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-(4-chloro-2-methyl-anilino)pteridin-2-yl]piperazin-1-ium-1-yl]ethanol Formula: C19H23ClN7O+ MolecularWeight: 400.88522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN7O/c1-13-12-14(20)2-3-15(13)23-18-16-17(22-5-4-21-16)24-19(25-18)27-8-6-26(7-9-27)10-11-28/h2-5,12,28H,6-11H2,1H3,(H,22,23,24,25)/p+1