ethyl 4-[4-(diethylamino)-2-oxidanyl-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(diethylamino)-2-oxidanyl-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(diethylamino)-2-hydroxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(diethylamino)-2-hydroxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(diethylamino)-2-hydroxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(diethylamino)-2-hydroxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)O

InChI

InChI=1S/C18H25N3O3S/c1-5-21(6-2)12-8-9-13(14(22)10-12)16-15(17(23)24-7-3)11(4)19-18(25)20-16/h8-10,16,22H,5-7H2,1-4H3,(H2,19,20,25)