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

Systemtic Name: ethyl 4-azanyl-2-[1-(2-methoxy-4-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-(2-methoxy-4-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(2-methoxy-4-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(2-methoxy-4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2,5-diketo-1-(2-methoxy-4-nitro-phenyl)pyrrolidin-3-yl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N5O7S MolecularWeight: 447.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N5O7S/c1-3-30-17(26)10-8-20-18(21-15(10)19)31-13-7-14(24)22(16(13)25)11-5-4-9(23(27)28)6-12(11)29-2/h4-6,8,13H,3,7H2,1-2H3,(H2,19,20,21)