4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]butanoate

Systemtic Name: 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]butanoate Openeye Name: 4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]butanoate CAS Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]butanoate IUPAC Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]butanoate Traditional Name: 4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]butyrate Formula: C9H10N3O4S- MolecularWeight: 256.2584

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])CN=CC1C(=O)NC(=S)NC1=O

Isomeric SMILES

C(CC(=O)[O-])CN=CC1C(=O)NC(=S)NC1=O

InChI

InChI=1S/C9H11N3O4S/c13-6(14)2-1-3-10-4-5-7(15)11-9(17)12-8(5)16/h4-5H,1-3H2,(H,13,14)(H2,11,12,15,16,17)/p-1