N2-phenyl-N4-prop-2-ynyl-pyrimidine-2,4-diamine

Systemtic Name: N2-phenyl-N4-prop-2-ynyl-pyrimidine-2,4-diamine Openeye Name: N2-phenyl-N4-prop-2-ynyl-pyrimidine-2,4-diamine CAS Name: N2-phenyl-N4-prop-2-ynylpyrimidine-2,4-diamine IUPAC Name: 2-N-phenyl-4-N-prop-2-ynylpyrimidine-2,4-diamine Traditional Name: (2-anilinopyrimidin-4-yl)-propargyl-amine Formula: C13H12N4 MolecularWeight: 224.26118

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC=C1)NC2=CC=CC=C2

Isomeric SMILES

C#CCNC1=NC(=NC=C1)NC2=CC=CC=C2

InChI

InChI=1S/C13H12N4/c1-2-9-14-12-8-10-15-13(17-12)16-11-6-4-3-5-7-11/h1,3-8,10H,9H2,(H2,14,15,16,17)