methyl 3-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-benzoate Openeye Name: methyl 3-[(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-benzoate CAS Name: 3-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)amino]-4-methylbenzoate Traditional Name: 3-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]amino]-4-methyl-benzoic acid methyl ester Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC2=C(C(=NC(=N2)N)SC)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC2=C(C(=NC(=N2)N)SC)C#N

InChI

InChI=1S/C15H15N5O2S/c1-8-4-5-9(14(21)22-2)6-11(8)18-12-10(7-16)13(23-3)20-15(17)19-12/h4-6H,1-3H3,(H3,17,18,19,20)