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

Systemtic Name: methyl 2-[[1-hexyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(1-hexyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[(1-hexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(1-hexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[(1-hexyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNC2=CC(=C(C=C2C(=O)OC)OC)OC)C(=O)NC1=S

Isomeric SMILES

CCCCCCN1C(=O)C(=CNC2=CC(=C(C=C2C(=O)OC)OC)OC)C(=O)NC1=S

InChI

InChI=1S/C21H27N3O6S/c1-5-6-7-8-9-24-19(26)14(18(25)23-21(24)31)12-22-15-11-17(29-3)16(28-2)10-13(15)20(27)30-4/h10-12,22H,5-9H2,1-4H3,(H,23,25,31)