N-[2-(4-methylsulfanylphenyl)-5-oxidanylidene-chromeno[4,3-d]pyrimidin-4-yl]propanamide

Systemtic Name: N-[2-(4-methylsulfanylphenyl)-5-oxidanylidene-chromeno[4,3-d]pyrimidin-4-yl]propanamide Openeye Name: N-[2-(4-methylsulfanylphenyl)-5-oxo-chromeno[4,3-d]pyrimidin-4-yl]propanamide CAS Name: N-[2-[4-(methylthio)phenyl]-5-oxo-4-[1]benzopyrano[4,3-d]pyrimidinyl]propanamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)-5-oxochromeno[4,3-d]pyrimidin-4-yl]propanamide Traditional Name: N-[5-keto-2-[4-(methylthio)phenyl]chromeno[4,3-d]pyrimidin-4-yl]propionamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=NC2=C1C(=O)OC3=CC=CC=C32)C4=CC=C(C=C4)SC

Isomeric SMILES

CCC(=O)NC1=NC(=NC2=C1C(=O)OC3=CC=CC=C32)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H17N3O3S/c1-3-16(25)22-20-17-18(14-6-4-5-7-15(14)27-21(17)26)23-19(24-20)12-8-10-13(28-2)11-9-12/h4-11H,3H2,1-2H3,(H,22,23,24,25)