2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H18N4O2S2 MolecularWeight: 410.51252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H18N4O2S2/c1-2-6-13-9-16(25)24-20(21-13)28-11-15-22-18(26)17-14(10-27-19(17)23-15)12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,21,24,25)(H,22,23,26)