1-[(E)-3-(1-benzofuran-2-yl)prop-2-enyl]-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(E)-3-(1-benzofuran-2-yl)prop-2-enyl]-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 1-[(E)-3-(benzofuran-2-yl)allyl]-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 1-[(E)-3-(2-benzofuranyl)prop-2-enyl]-5-methyl-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 1-[(E)-3-(1-benzofuran-2-yl)prop-2-enyl]-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 1-[(E)-3-(benzofuran-2-yl)allyl]-5-methyl-6-(phenylthio)pyrimidine-2,4-quinone Formula: C22H18N2O3S MolecularWeight: 390.45492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)NC1=O)CC=CC2=CC3=CC=CC=C3O2)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(N(C(=O)NC1=O)C/C=C/C2=CC3=CC=CC=C3O2)SC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c1-15-20(25)23-22(26)24(21(15)28-18-10-3-2-4-11-18)13-7-9-17-14-16-8-5-6-12-19(16)27-17/h2-12,14H,13H2,1H3,(H,23,25,26)/b9-7+