3,6-diethyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,6-diethyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,6-diethyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3,6-diethyl-2-(1-piperazin-4-iumyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,6-diethyl-2-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3,6-diethyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one Formula: C14H21N4OS+ MolecularWeight: 293.40774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC)N3CC[NH2+]CC3

InChI

InChI=1S/C14H20N4OS/c1-3-10-9-11-12(20-10)16-14(18(4-2)13(11)19)17-7-5-15-6-8-17/h9,15H,3-8H2,1-2H3/p+1