5,6-dimethyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN(C(=N3)C(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN(C(=N3)C(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C20H21N5OS2/c1-11(2)17-23-20(24-25(17)14-8-6-5-7-9-14)27-10-15-21-18(26)16-12(3)13(4)28-19(16)22-15/h5-9,11H,10H2,1-4H3,(H,21,22,26)