2-[(4-phenylazanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(4-phenylazanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[[4-anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]thio]propanoic acid IUPAC Name: 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-anilino-6-pyrrolidino-s-triazin-2-yl)thio]propionic acid Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C16H19N5O2S/c1-11(13(22)23)24-16-19-14(17-12-7-3-2-4-8-12)18-15(20-16)21-9-5-6-10-21/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,22,23)(H,17,18,19,20)