5-bromanyl-N2-(4-morpholin-4-ylsulfonylphenyl)-N4-prop-2-ynyl-pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2-(4-morpholin-4-ylsulfonylphenyl)-N4-prop-2-ynyl-pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-(4-morpholinosulfonylphenyl)-N4-prop-2-ynyl-pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[4-(4-morpholinylsulfonyl)phenyl]-N4-prop-2-ynylpyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-(4-morpholin-4-ylsulfonylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine Traditional Name: [5-bromo-2-(4-morpholinosulfonylanilino)pyrimidin-4-yl]-propargyl-amine Formula: C17H18BrN5O3S MolecularWeight: 452.32552

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC=C1Br)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C#CCNC1=NC(=NC=C1Br)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H18BrN5O3S/c1-2-7-19-16-15(18)12-20-17(22-16)21-13-3-5-14(6-4-13)27(24,25)23-8-10-26-11-9-23/h1,3-6,12H,7-11H2,(H2,19,20,21,22)