3-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one

Systemtic Name: 3-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one Openeye Name: 3-[[4-(1-adamantyl)thiazol-2-yl]methyl]-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one CAS Name: 3-[[4-(1-adamantyl)-2-thiazolyl]methyl]-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-quinazolinone IUPAC Name: 3-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one Traditional Name: 3-[[4-(1-adamantyl)thiazol-2-yl]methyl]-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one Formula: C28H36N5OS+ MolecularWeight: 490.68334

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H35N5OS/c1-31-6-8-32(9-7-31)16-25-29-23-5-3-2-4-22(23)27(34)33(25)17-26-30-24(18-35-26)28-13-19-10-20(14-28)12-21(11-19)15-28/h2-5,18-21H,6-17H2,1H3/p+1