8-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2,9-dimethyl-3H-purin-6-one

Systemtic Name: 8-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Openeye Name: 8-[(6-ethoxy-2-oxo-chromen-4-yl)methylsulfanyl]-2,9-dimethyl-3H-purin-6-one CAS Name: 8-[(6-ethoxy-2-oxo-1-benzopyran-4-yl)methylthio]-2,9-dimethyl-3H-purin-6-one IUPAC Name: 8-[(6-ethoxy-2-oxochromen-4-yl)methylsulfanyl]-2,9-dimethyl-3H-purin-6-one Traditional Name: 8-[(6-ethoxy-2-keto-chromen-4-yl)methylthio]-2,9-dimethyl-3H-purin-6-one Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CSC3=NC4=C(N3C)NC(=NC4=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CSC3=NC4=C(N3C)NC(=NC4=O)C

InChI

InChI=1S/C19H18N4O4S/c1-4-26-12-5-6-14-13(8-12)11(7-15(24)27-14)9-28-19-22-16-17(23(19)3)20-10(2)21-18(16)25/h5-8H,4,9H2,1-3H3,(H,20,21,25)