ethyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylcarbamoylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylcarbamoylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-4-(phenylcarbamoylamino)pyrimidine-5-carboxylate CAS Name: 4-[[anilino(oxo)methyl]amino]-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-(phenylcarbamoylamino)pyrimidine-5-carboxylate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-4-(phenylcarbamoylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC=CC=C2)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC=CC=C2)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H21N5O5S/c1-2-30-19(28)16-12-23-21(32-13-17(27)22-11-15-9-6-10-31-15)26-18(16)25-20(29)24-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,22,27)(H2,23,24,25,26,29)