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

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H29N4OS+ MolecularWeight: 445.59966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H28N4OS/c1-19-20(2)32-25-23(19)26(31)30(17-27-25)18-28-13-15-29(16-14-28)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17,24H,13-16,18H2,1-2H3/p+1