ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[2-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]ethylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]ethylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[2-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]ethylamino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H24N6O4S2 MolecularWeight: 452.55096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCCNC2=NC(=NC=C2C(=O)OCC)SC)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCCNC2=NC(=NC=C2C(=O)OCC)SC)SC

InChI

InChI=1S/C18H24N6O4S2/c1-5-27-15(25)11-9-21-17(29-3)23-13(11)19-7-8-20-14-12(16(26)28-6-2)10-22-18(24-14)30-4/h9-10H,5-8H2,1-4H3,(H,19,21,23)(H,20,22,24)