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

Systemtic Name: 5-bromanyl-N2-[3-(phenylsulfonyl)phenyl]-N4-prop-2-ynyl-pyrimidine-2,4-diamine Openeye Name: N2-[3-(benzenesulfonyl)phenyl]-5-bromo-N4-prop-2-ynyl-pyrimidine-2,4-diamine CAS Name: N2-[3-(benzenesulfonyl)phenyl]-5-bromo-N4-prop-2-ynylpyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(benzenesulfonyl)phenyl]-5-bromo-4-N-prop-2-ynylpyrimidine-2,4-diamine Traditional Name: [2-(3-besylanilino)-5-bromo-pyrimidin-4-yl]-propargyl-amine Formula: C19H15BrN4O2S MolecularWeight: 443.317

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC=C1Br)NC2=CC(=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCNC1=NC(=NC=C1Br)NC2=CC(=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H15BrN4O2S/c1-2-11-21-18-17(20)13-22-19(24-18)23-14-7-6-10-16(12-14)27(25,26)15-8-4-3-5-9-15/h1,3-10,12-13H,11H2,(H2,21,22,23,24)