ethyl 2-(1,3-benzoxazol-2-ylamino)-4-(morpholin-4-ylcarbothioylsulfanylmethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-(morpholin-4-ylcarbothioylsulfanylmethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-(morpholine-4-carbothioylsulfanylmethyl)pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzoxazol-2-ylamino)-4-[[[4-morpholinyl(sulfanylidene)methyl]thio]methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-(morpholine-4-carbothioylsulfanylmethyl)pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-4-[(morpholine-4-carbothioylthio)methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC(=S)N2CCOCC2)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC(=S)N2CCOCC2)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N5O4S2/c1-2-28-17(26)13-11-21-18(24-19-23-14-5-3-4-6-16(14)29-19)22-15(13)12-31-20(30)25-7-9-27-10-8-25/h3-6,11H,2,7-10,12H2,1H3,(H,21,22,23,24)