2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-6-oxidanylidene-N-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-6-oxidanylidene-N-phenyl-pyrimidine-5-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-1-methyl-6-oxo-N-phenyl-pyrimidine-5-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-1-methyl-6-oxo-N-phenyl-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-6-keto-1-methyl-N-phenyl-pyrimidine-5-carboxamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O5S/c1-25-20(28)15(19(27)24-13-5-3-2-4-6-13)10-22-21(25)31-11-18(26)23-14-7-8-16-17(9-14)30-12-29-16/h2-10H,11-12H2,1H3,(H,23,26)(H,24,27)