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

Systemtic Name: ethyl 4-azanyl-2-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-3-27-17(25)12-9-20-18(21-15(12)19)28-13-8-14(23)22(16(13)24)10-4-6-11(26-2)7-5-10/h4-7,9,13H,3,8H2,1-2H3,(H2,19,20,21)