2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(3-ketobenzo[f]chromen-1-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C21H17N2O3S- MolecularWeight: 377.43628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[O-]

InChI

InChI=1S/C21H18N2O3S/c1-2-5-15-11-18(24)23-21(22-15)27-12-14-10-19(25)26-17-9-8-13-6-3-4-7-16(13)20(14)17/h3-4,6-11H,2,5,12H2,1H3,(H,22,23,24)/p-1