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

Systemtic Name: ethyl 5-azanyl-1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(7-chloro-3-methyl-4-oxo-2-quinazolinyl)-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(7-chloro-4-keto-3-methyl-quinazolin-2-yl)-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2C)N

InChI

InChI=1S/C16H16ClN5O3S/c1-4-25-15(24)11-12(18)22(20-13(11)26-3)16-19-10-7-8(17)5-6-9(10)14(23)21(16)2/h5-7H,4,18H2,1-3H3