7-methyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-methyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-[[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-methyl-2-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-methyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-[[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C21H29N5OS+2 MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)SC(=N2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC(=O)N2C(=N1)SC(=N2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C21H27N5OS/c1-15(2)18-6-4-17(5-7-18)13-24-8-10-25(11-9-24)14-19-23-26-20(27)12-16(3)22-21(26)28-19/h4-7,12,15H,8-11,13-14H2,1-3H3/p+2