6-[[4-(3-methylphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(3-methylphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(m-tolyl)-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(3-methylphenyl)-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(3-methylphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(m-tolyl)-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CN=CC=C3)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CN=CC=C3)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C20H18N6O2S/c1-13-4-2-6-16(8-13)26-17(9-15-10-18(27)23-19(28)22-15)24-25-20(26)29-12-14-5-3-7-21-11-14/h2-8,10-11H,9,12H2,1H3,(H2,22,23,27,28)