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

Systemtic Name: ethyl 4-azanyl-2-[(3S)-1-(4-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3S)-1-(4-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(3S)-1-(4-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3S)-1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(3S)-2,5-diketo-1-(4-nitrophenyl)pyrrolidin-3-yl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15N5O6S MolecularWeight: 417.3959

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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)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O6S/c1-2-28-16(25)11-8-19-17(20-14(11)18)29-12-7-13(23)21(15(12)24)9-3-5-10(6-4-9)22(26)27/h3-6,8,12H,2,7H2,1H3,(H2,18,19,20)/t12-/m0/s1