ethyl 4-azanyl-2-[2,5-bis(oxidanylidene)-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2,5-bis(oxidanylidene)-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2,5-dioxo-1-(4-phenoxyphenyl)-3-pyrrolidinyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2,5-diketo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O5S/c1-2-31-22(30)17-13-25-23(26-20(17)24)33-18-12-19(28)27(21(18)29)14-8-10-16(11-9-14)32-15-6-4-3-5-7-15/h3-11,13,18H,2,12H2,1H3,(H2,24,25,26)