2,5,6-trimethyl-3-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2,5,6-trimethyl-3-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2,5,6-trimethyl-3-(3-oxo-3-piperazin-4-ium-1-yl-propyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2,5,6-trimethyl-3-[3-oxo-3-(1-piperazin-4-iumyl)propyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2,5,6-trimethyl-3-(3-oxo-3-piperazin-4-ium-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-keto-3-piperazin-4-ium-1-yl-propyl)-2,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C16H23N4O2S+ MolecularWeight: 335.44442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C16H22N4O2S/c1-10-11(2)23-15-14(10)16(22)20(12(3)18-15)7-4-13(21)19-8-5-17-6-9-19/h17H,4-9H2,1-3H3/p+1