N2-[4-(3-azanylprop-1-ynyl)phenyl]-5-bromanyl-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: N2-[4-(3-azanylprop-1-ynyl)phenyl]-5-bromanyl-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: N2-[4-(3-aminoprop-1-ynyl)phenyl]-5-bromo-N4-phenyl-pyrimidine-2,4-diamine CAS Name: N2-[4-(3-aminoprop-1-ynyl)phenyl]-5-bromo-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 2-N-[4-(3-aminoprop-1-ynyl)phenyl]-5-bromo-4-N-phenylpyrimidine-2,4-diamine Traditional Name: [2-[4-(3-aminoprop-1-ynyl)anilino]-5-bromo-pyrimidin-4-yl]-phenyl-amine Formula: C19H16BrN5 MolecularWeight: 394.26784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C#CCN

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C#CCN

InChI

InChI=1S/C19H16BrN5/c20-17-13-22-19(25-18(17)23-15-6-2-1-3-7-15)24-16-10-8-14(9-11-16)5-4-12-21/h1-3,6-11,13H,12,21H2,(H2,22,23,24,25)