6-ethanoyl-5-methyl-2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethanoyl-5-methyl-2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C21H22N4O3S/c1-13-17-19(27)22-16(23-20(17)29-18(13)14(2)26)12-24-8-10-25(11-9-24)21(28)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,22,23,27)/p+1