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

Systemtic Name: cyclohexyl 5-azanyl-2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C25H29N7O3S MolecularWeight: 507.60786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OC3CCCCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OC3CCCCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C25H29N7O3S/c1-14-13-19(32-31-14)28-22-20(26)21(24(34)35-17-5-3-2-4-6-17)29-25(30-22)36-18-11-9-16(10-12-18)27-23(33)15-7-8-15/h9-13,15,17H,2-8,26H2,1H3,(H,27,33)(H2,28,29,30,31,32)