3-[[1-cyclopropyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoic acid

Systemtic Name: 3-[[1-cyclopropyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoic acid Openeye Name: 3-[(1-cyclopropyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid CAS Name: 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid IUPAC Name: 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid Traditional Name: 3-[(1-cyclopropyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C(=CNC3=CC=CC(=C3)C(=O)O)C(=O)NC2=S

Isomeric SMILES

C1CC1N2C(=O)C(=CNC3=CC=CC(=C3)C(=O)O)C(=O)NC2=S

InChI

InChI=1S/C15H13N3O4S/c19-12-11(13(20)18(10-4-5-10)15(23)17-12)7-16-9-3-1-2-8(6-9)14(21)22/h1-3,6-7,10,16H,4-5H2,(H,21,22)(H,17,19,23)