5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4O2S2/c1-13-15(19(27)24-21(22-13)28-2)7-8-18(26)25-11-9-14(10-12-25)20-23-16-5-3-4-6-17(16)29-20/h3-6,14H,7-12H2,1-2H3,(H,22,24,27)