2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-5-(5-methyl-2-thiophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C20H22N4O2S2/c1-12-2-5-15(28-12)14-11-27-19-17(14)18(25)21-16(22-19)10-23-6-8-24(9-7-23)20(26)13-3-4-13/h2,5,11,13H,3-4,6-10H2,1H3,(H,21,22,25)/p+1