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

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1-methyl-6-oxo-pyrimidine-5-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1-methyl-6-oxo-5-pyrimidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1-methyl-6-oxopyrimidine-5-carboxamide Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-6-keto-1-methyl-N-p-phenetyl-pyrimidine-5-carboxamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H22N4O5S/c1-3-29-15-8-6-14(7-9-15)24-19(27)17-12-23-21(25(2)20(17)28)31-13-18(26)22-11-16-5-4-10-30-16/h4-10,12H,3,11,13H2,1-2H3,(H,22,26)(H,24,27)