2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 2-[[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-[[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C23H27N7O2S2 MolecularWeight: 497.63618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NN=C(N3C4CCCCC4)CNC5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NN=C(N3C4CCCCC4)CNC5=CC(=CC=C5)OC

InChI

InChI=1S/C23H27N7O2S2/c1-15-11-21(31)30-22(25-15)34-20(28-30)14-33-23-27-26-19(29(23)17-8-4-3-5-9-17)13-24-16-7-6-10-18(12-16)32-2/h6-7,10-12,17,24H,3-5,8-9,13-14H2,1-2H3