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

Systemtic Name: 2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H27N4O2S+ MolecularWeight: 423.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CCN(CC4)C(=O)C5CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CCN(CC4)C(=O)C5CC5)C

InChI

InChI=1S/C23H26N4O2S/c1-14-3-5-16(6-4-14)19-15(2)30-22-20(19)21(28)24-18(25-22)13-26-9-11-27(12-10-26)23(29)17-7-8-17/h3-6,17H,7-13H2,1-2H3,(H,24,25,28)/p+1