methyl 2-[[4-(1H-indazol-6-ylamino)-2-methylsulfanyl-pyrimidin-5-yl]carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: methyl 2-[[4-(1H-indazol-6-ylamino)-2-methylsulfanyl-pyrimidin-5-yl]carbonylamino]-3-oxidanyl-butanoate Openeye Name: methyl 3-hydroxy-2-[[4-(1H-indazol-6-ylamino)-2-methylsulfanyl-pyrimidine-5-carbonyl]amino]butanoate CAS Name: 3-hydroxy-2-[[[4-(1H-indazol-6-ylamino)-2-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carbonyl]amino]butanoate Traditional Name: 3-hydroxy-2-[[4-(1H-indazol-6-ylamino)-2-(methylthio)pyrimidine-5-carbonyl]amino]butyric acid methyl ester Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)NC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)C=NN3)SC)O

Isomeric SMILES

CC(C(C(=O)OC)NC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)C=NN3)SC)O

InChI

InChI=1S/C18H20N6O4S/c1-9(25)14(17(27)28-2)22-16(26)12-8-19-18(29-3)23-15(12)21-11-5-4-10-7-20-24-13(10)6-11/h4-9,14,25H,1-3H3,(H,20,24)(H,22,26)(H,19,21,23)