ethyl 2-methylsulfanyl-4-(octadecylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-(octadecylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(octadecylamino)pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(octadecylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(octadecylamino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(stearylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H47N3O2S MolecularWeight: 465.73528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=NC(=NC=C1C(=O)OCC)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=NC(=NC=C1C(=O)OCC)SC

InChI

InChI=1S/C26H47N3O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-24-23(25(30)31-5-2)22-28-26(29-24)32-3/h22H,4-21H2,1-3H3,(H,27,28,29)