2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-methyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(1H-benzimidazol-2-ylmethylthio)-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H16N4OS2/c1-3-8-22-17(23)12-9-11(2)25-16(12)21-18(22)24-10-15-19-13-6-4-5-7-14(13)20-15/h3-7,9H,1,8,10H2,2H3,(H,19,20)