2-methylsulfanylethyl 5-azanyl-2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate

Systemtic Name: 2-methylsulfanylethyl 5-azanyl-2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate Openeye Name: 2-methylsulfanylethyl 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate CAS Name: 5-amino-2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyrimidinecarboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate Traditional Name: 5-amino-2-[[4-(cyclopropanecarbonylamino)phenyl]thio]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylic acid 2-(methylthio)ethyl ester Formula: C22H25N7O3S2 MolecularWeight: 499.609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OCCSC)SC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OCCSC)SC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C22H25N7O3S2/c1-12-11-16(29-28-12)25-19-17(23)18(21(31)32-9-10-33-2)26-22(27-19)34-15-7-5-14(6-8-15)24-20(30)13-3-4-13/h5-8,11,13H,3-4,9-10,23H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)