1,3-dimethyl-6-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrimidine-2,4-dione Openeye Name: 6-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]pyrimidine-2,4-dione IUPAC Name: 6-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-25-18(14-20(28)26(2)22(25)29)15-30-21-24-23-19(13-16-9-5-3-6-10-16)27(21)17-11-7-4-8-12-17/h3-12,14H,13,15H2,1-2H3