3-(2-ethoxyethyl)-6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-ethoxyethyl)-6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-ethoxyethyl)-6-(4-ethylpiperazin-4-ium-1-carbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-ethoxyethyl)-6-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-5-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-ethoxyethyl)-6-(4-ethylpiperazin-4-ium-1-carbonyl)-5-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-ethoxyethyl)-6-(4-ethylpiperazin-4-ium-1-carbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)N=CN(C3=O)CCOCC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)N=CN(C3=O)CCOCC)C

InChI

InChI=1S/C18H26N4O3S/c1-4-20-6-8-21(9-7-20)18(24)15-13(3)14-16(26-15)19-12-22(17(14)23)10-11-25-5-2/h12H,4-11H2,1-3H3/p+1