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

Systemtic Name: 1-(azepan-1-yl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C12H19N5OS MolecularWeight: 281.37716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5OS/c13-9-7-10(14)16-12(15-9)19-8-11(18)17-5-3-1-2-4-6-17/h7H,1-6,8H2,(H4,13,14,15,16)