3-[[4,6-bis(azanyl)pyrimidin-2-yl]amino]-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 3-[[4,6-bis(azanyl)pyrimidin-2-yl]amino]-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-[(4,6-diaminopyrimidin-2-yl)amino]-5-[(3-nitrophenyl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)amino]-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-[(4,6-diaminopyrimidin-2-yl)amino]-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)amino]-5-(3-nitrobenzylidene)-2-thioxo-thiazolidin-4-one Formula: C14H11N7O3S2 MolecularWeight: 389.41224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)NC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)NC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H11N7O3S2/c15-10-6-11(16)18-13(17-10)19-20-12(22)9(26-14(20)25)5-7-2-1-3-8(4-7)21(23)24/h1-6H,(H5,15,16,17,18,19)