1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzo[f]chromen-3-one Formula: C22H16N2O2S2 MolecularWeight: 404.50464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C

InChI

InChI=1S/C22H16N2O2S2/c1-12-13(2)28-22-19(12)21(23-11-24-22)27-10-15-9-18(25)26-17-8-7-14-5-3-4-6-16(14)20(15)17/h3-9,11H,10H2,1-2H3