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

Systemtic Name: 3-ethyl-6-phenyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-6-phenyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-6-phenyl-2-(1-piperazin-4-iumyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-6-phenyl-2-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-6-phenyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1N3CC[NH2+]CC3)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1N3CC[NH2+]CC3)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c1-2-22-17(23)14-12-15(13-6-4-3-5-7-13)24-16(14)20-18(22)21-10-8-19-9-11-21/h3-7,12,19H,2,8-11H2,1H3/p+1