1-methyl-6-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-N-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 1-methyl-6-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-N-phenyl-pyrimidine-5-carboxamide Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1-methyl-6-oxo-N-phenyl-pyrimidine-5-carboxamide CAS Name: 1-methyl-6-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-N-phenyl-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-6-keto-1-methyl-N-phenyl-pyrimidine-5-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN=C1SCC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=CN=C1SCC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-25-20(28)17(19(27)24-16-10-6-3-7-11-16)13-23-21(25)29-14-18(26)22-12-15-8-4-2-5-9-15/h2-11,13H,12,14H2,1H3,(H,22,26)(H,24,27)