2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]methyl]-1H-quinazolin-4-one Formula: C22H16N4OS2 MolecularWeight: 416.51864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C22H16N4OS2/c1-13-23-21(16-11-18(29-22(16)24-13)14-7-3-2-4-8-14)28-12-19-25-17-10-6-5-9-15(17)20(27)26-19/h2-11H,12H2,1H3,(H,25,26,27)