2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C21H23N2O3S- MolecularWeight: 383.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)[O-]

InChI

InChI=1S/C21H24N2O3S/c1-5-6-15-9-19(24)23-21(22-15)27-11-14-8-20(25)26-18-7-13(4)16(12(2)3)10-17(14)18/h7-10,12H,5-6,11H2,1-4H3,(H,22,23,24)/p-1