6-(5-chloranyl-2-methyl-phenyl)-N2-(4-ethynylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(5-chloranyl-2-methyl-phenyl)-N2-(4-ethynylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(5-chloro-2-methyl-phenyl)-N2-(4-ethynylphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(5-chloro-2-methylphenyl)-N2-(4-ethynylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(5-chloro-2-methylphenyl)-2-N-(4-ethynylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(5-chloro-2-methyl-phenyl)-s-triazin-2-yl]-(4-ethynylphenyl)amine Formula: C18H14ClN5 MolecularWeight: 335.79026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C#C)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C#C)N

InChI

InChI=1S/C18H14ClN5/c1-3-12-5-8-14(9-6-12)21-18-23-16(22-17(20)24-18)15-10-13(19)7-4-11(15)2/h1,4-10H,2H3,(H3,20,21,22,23,24)