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

Systemtic Name: 1-(azepan-1-yl)-2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(4,6-diamino-s-triazin-2-yl)thio]ethanone Formula: C11H18N6OS MolecularWeight: 282.36522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=NC(=N2)N)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C11H18N6OS/c12-9-14-10(13)16-11(15-9)19-7-8(18)17-5-3-1-2-4-6-17/h1-7H2,(H4,12,13,14,15,16)