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

Systemtic Name: (1-methylpiperidin-4-yl) 5-azanyl-2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate Openeye Name: (1-methyl-4-piperidyl) 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 (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 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 (1-methyl-4-piperidyl) ester Formula: C25H30N8O3S MolecularWeight: 522.6225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OC3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OC3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C25H30N8O3S/c1-14-13-19(32-31-14)28-22-20(26)21(24(35)36-17-9-11-33(2)12-10-17)29-25(30-22)37-18-7-5-16(6-8-18)27-23(34)15-3-4-15/h5-8,13,15,17H,3-4,9-12,26H2,1-2H3,(H,27,34)(H2,28,29,30,31,32)