2-[(3,4-dimethylphenyl)sulfanylmethyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-[[(3,4-dimethylphenyl)thio]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(3,4-dimethylphenyl)thio]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C

InChI

InChI=1S/C19H16N2O2S/c1-11-7-8-13(9-12(11)2)24-10-16-20-17-14-5-3-4-6-15(14)23-18(17)19(22)21-16/h3-9H,10H2,1-2H3,(H,20,21,22)