ethyl 4-[[3-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]-2-sulfanyl-propyl]-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: ethyl 4-[[3-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]-2-sulfanyl-propyl]-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[[3-[(2-amino-6-methyl-pyrimidin-4-yl)amino]-2-sulfanyl-propyl]-(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[[3-[(2-amino-6-methyl-4-pyrimidinyl)amino]-2-mercaptopropyl]-(4-methylphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-sulfanylpropyl]-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[[3-[(2-amino-6-methyl-pyrimidin-4-yl)amino]-2-mercapto-propyl]-tosyl-amino]benzoic acid ethyl ester Formula: C24H29N5O4S2 MolecularWeight: 515.64816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC(CNC2=NC(=NC(=C2)C)N)S)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC(CNC2=NC(=NC(=C2)C)N)S)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H29N5O4S2/c1-4-33-23(30)18-7-9-19(10-8-18)29(35(31,32)21-11-5-16(2)6-12-21)15-20(34)14-26-22-13-17(3)27-24(25)28-22/h5-13,20,34H,4,14-15H2,1-3H3,(H3,25,26,27,28)