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

Systemtic Name: 1-(azocan-1-yl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(azocan-1-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azocanyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(azocan-1-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C13H21N5OS MolecularWeight: 295.40374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H21N5OS/c14-10-8-11(15)17-13(16-10)20-9-12(19)18-6-4-2-1-3-5-7-18/h8H,1-7,9H2,(H4,14,15,16,17)