N4-(4-chloranyl-2-methyl-phenyl)-N2-(2-morpholin-4-ium-4-ylethyl)pteridine-2,4-diamine

Systemtic Name: N4-(4-chloranyl-2-methyl-phenyl)-N2-(2-morpholin-4-ium-4-ylethyl)pteridine-2,4-diamine Openeye Name: N4-(4-chloro-2-methyl-phenyl)-N2-(2-morpholin-4-ium-4-ylethyl)pteridine-2,4-diamine CAS Name: N4-(4-chloro-2-methylphenyl)-N2-[2-(4-morpholin-4-iumyl)ethyl]pteridine-2,4-diamine IUPAC Name: 4-N-(4-chloro-2-methylphenyl)-2-N-(2-morpholin-4-ium-4-ylethyl)pteridine-2,4-diamine Traditional Name: [4-(4-chloro-2-methyl-anilino)pteridin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine 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)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=NC(=NC3=NC=CN=C32)NCC[NH+]4CCOCC4

InChI

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