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

Systemtic Name: 5,6-bis(azanyl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 5,6-diamino-2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 5,6-diamino-2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 5,6-diamino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 5,6-diamino-2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C13H21N5O2S MolecularWeight: 311.40314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=O)C(=C(N2)N)N

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC(=O)C(=C(N2)N)N

InChI

InChI=1S/C13H21N5O2S/c1-2-8-5-3-4-6-18(8)9(19)7-21-13-16-11(15)10(14)12(20)17-13/h8H,2-7,14H2,1H3,(H3,15,16,17,20)