2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4,6-diamino-s-triazin-2-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C15H18N6OS MolecularWeight: 330.40802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C15H18N6OS/c16-13-18-14(17)20-15(19-13)23-11(10-6-2-1-3-7-10)12(22)21-8-4-5-9-21/h1-3,6-7,11H,4-5,8-9H2,(H4,16,17,18,19,20)