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

Systemtic Name: 2-[(4-phenylazanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid CAS Name: 2-[[4-anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]thio]acetic acid IUPAC Name: 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-anilino-6-pyrrolidino-s-triazin-2-yl)thio]acetic acid Formula: C15H17N5O2S MolecularWeight: 331.39278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)SCC(=O)O)NC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)SCC(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C15H17N5O2S/c21-12(22)10-23-15-18-13(16-11-6-2-1-3-7-11)17-14(19-15)20-8-4-5-9-20/h1-3,6-7H,4-5,8-10H2,(H,21,22)(H,16,17,18,19)