ethyl 5-azanyl-1-(7-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(7-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(7-chloro-3-ethyl-4-oxo-quinazolin-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(7-chloro-3-ethyl-4-oxo-2-quinazolinyl)-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(7-chloro-3-ethyl-4-keto-quinazolin-2-yl)-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C17H18ClN5O3S MolecularWeight: 407.87452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1N3C(=C(C(=N3)SC)C(=O)OCC)N

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1N3C(=C(C(=N3)SC)C(=O)OCC)N

InChI

InChI=1S/C17H18ClN5O3S/c1-4-22-15(24)10-7-6-9(18)8-11(10)20-17(22)23-13(19)12(14(21-23)27-3)16(25)26-5-2/h6-8H,4-5,19H2,1-3H3