4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-morpholin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-morpholin-4-yl-pyrimidine-5-carboxamide Openeye Name: 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-morpholino-pyrimidine-5-carboxamide CAS Name: 4-(1H-indazol-5-ylamino)-2-(methylthio)-N-(4-morpholinyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-morpholin-4-ylpyrimidine-5-carboxamide Traditional Name: 4-(1H-indazol-5-ylamino)-2-(methylthio)-N-morpholino-pyrimidine-5-carboxamide Formula: C17H19N7O2S MolecularWeight: 385.44346

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC3=C(C=C2)NN=C3)C(=O)NN4CCOCC4

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC3=C(C=C2)NN=C3)C(=O)NN4CCOCC4

InChI

InChI=1S/C17H19N7O2S/c1-27-17-18-10-13(16(25)23-24-4-6-26-7-5-24)15(21-17)20-12-2-3-14-11(8-12)9-19-22-14/h2-3,8-10H,4-7H2,1H3,(H,19,22)(H,23,25)(H,18,20,21)