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

Systemtic Name: 5,6-dimethyl-2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H29N6OS+ MolecularWeight: 413.55956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C21H28N6OS/c1-12(2)19-22-13(3)10-17(25-19)27-8-6-26(7-9-27)11-16-23-20(28)18-14(4)15(5)29-21(18)24-16/h10,12H,6-9,11H2,1-5H3,(H,23,24,28)/p+1