N4-(3-bromophenyl)-N6-(3-ethynylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-(3-ethynylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(3-ethynylphenyl)pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-(3-ethynylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(3-ethynylphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)pyrimidin-4-yl]-(3-ethynylphenyl)amine Formula: C18H13BrN4 MolecularWeight: 365.22662

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H13BrN4/c1-2-13-5-3-7-15(9-13)22-17-11-18(21-12-20-17)23-16-8-4-6-14(19)10-16/h1,3-12H,(H2,20,21,22,23)