methyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: methyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: methyl 4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid methyl ester Formula: C13H11N3O4S MolecularWeight: 305.30914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C13H11N3O4S/c1-20-12(19)7-2-4-8(5-3-7)14-6-9-10(17)15-13(21)16-11(9)18/h2-6,14H,1H3,(H2,15,16,17,18,21)