4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperazin-4-ium-1-yl-butan-1-one Formula: C16H24N5OS+ MolecularWeight: 334.45966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)NCCCC(=O)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)NCCCC(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N5OS/c1-2-12-10-13-15(19-11-20-16(13)23-12)18-5-3-4-14(22)21-8-6-17-7-9-21/h10-11,17H,2-9H2,1H3,(H,18,19,20)/p+1