N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H17N3O3S/c1-27-20-21-12-15(18(23-20)13-5-3-2-4-6-13)19(24)22-14-7-8-16-17(11-14)26-10-9-25-16/h2-8,11-12H,9-10H2,1H3,(H,22,24)