2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-methyl-4-quinazolinyl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-methylquinazolin-4-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

InChI

InChI=1S/C20H18N4OS2/c1-11-21-14-8-4-2-6-12(14)19(22-11)26-10-16-23-18(25)17-13-7-3-5-9-15(13)27-20(17)24-16/h2,4,6,8H,3,5,7,9-10H2,1H3,(H,23,24,25)