[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] adamantane-1-carboxylate

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] adamantane-1-carboxylate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H24N2O5S/c1-29-18-8-12(7-16-19(26)24-22(31)25-20(16)27)2-3-17(18)30-21(28)23-9-13-4-14(10-23)6-15(5-13)11-23/h2-3,7-8,13-15H,4-6,9-11H2,1H3,(H2,24,25,26,27,31)