N-(3,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1-methyl-6-oxo-pyrimidine-5-carboxamide CAS Name: N-(3,4-dimethylphenyl)-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1-methyl-6-oxo-5-pyrimidinecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1-methyl-6-oxopyrimidine-5-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-6-keto-1-methyl-pyrimidine-5-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C21H22N4O4S/c1-13-6-7-15(9-14(13)2)24-19(27)17-11-23-21(25(3)20(17)28)30-12-18(26)22-10-16-5-4-8-29-16/h4-9,11H,10,12H2,1-3H3,(H,22,26)(H,24,27)