5,6-bis(azanyl)-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5,6-bis(azanyl)-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 5,6-diamino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 5,6-diamino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 5,6-diamino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 5,6-diamino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C12H19N5O2S MolecularWeight: 297.37656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O2S/c13-9-10(14)15-12(16-11(9)19)20-7-8(18)17-5-3-1-2-4-6-17/h1-7,13H2,(H3,14,15,16,19)