1,3-diethyl-5-[2-[(2-nitrophenyl)amino]ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-diethyl-5-[2-[(2-nitrophenyl)amino]ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diethyl-5-[2-(2-nitroanilino)ethyliminomethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diethyl-5-[2-(2-nitroanilino)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-diethyl-5-[2-(2-nitroanilino)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-[2-(2-nitroanilino)ethyliminomethyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=O)N(C1=S)CC)C=NCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C(C(=O)N(C1=S)CC)C=NCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-3-20-15(23)12(16(24)21(4-2)17(20)27)11-18-9-10-19-13-7-5-6-8-14(13)22(25)26/h5-8,11-12,19H,3-4,9-10H2,1-2H3