(2S)-2-azanyl-N-[5-bromanyl-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[5-bromanyl-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]propanamide Openeye Name: (2S)-2-amino-N-[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]propanamide CAS Name: (2S)-2-amino-N-[5-bromo-2-(4-sulfamoylanilino)-4-pyrimidinyl]propanamide IUPAC Name: (2S)-2-amino-N-[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]propanamide Traditional Name: (2S)-2-amino-N-[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]propionamide Formula: C13H15BrN6O3S MolecularWeight: 415.2656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=NC=C1Br)NC2=CC=C(C=C2)S(=O)(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=NC=C1Br)NC2=CC=C(C=C2)S(=O)(=O)N)N

InChI

InChI=1S/C13H15BrN6O3S/c1-7(15)12(21)19-11-10(14)6-17-13(20-11)18-8-2-4-9(5-3-8)24(16,22)23/h2-7H,15H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21)/t7-/m0/s1