5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-phenethyl-2-thiophen-2-yl-pyrimidin-4-one

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-phenethyl-2-thiophen-2-yl-pyrimidin-4-one Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-phenethyl-2-(2-thienyl)pyrimidin-4-one CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-phenethyl-2-thiophen-2-yl-4-pyrimidinone IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-phenethyl-2-thiophen-2-ylpyrimidin-4-one Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-phenethyl-2-(2-thienyl)pyrimidin-4-one Formula: C25H22N2O3S MolecularWeight: 430.51878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)C2=CC=CS2)CCC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)C2=CC=CS2)CCC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H22N2O3S/c1-17-23(19-9-10-20-21(16-19)30-14-13-29-20)25(28)27(12-11-18-6-3-2-4-7-18)24(26-17)22-8-5-15-31-22/h2-10,15-16H,11-14H2,1H3