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

Systemtic Name: oxan-4-yl 5-azanyl-2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate Openeye Name: tetrahydropyran-4-yl 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 4-oxanyl ester IUPAC Name: oxan-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 tetrahydropyran-4-yl ester Formula: C24H27N7O4S MolecularWeight: 509.58068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OC3CCOCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OC3CCOCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C24H27N7O4S/c1-13-12-18(31-30-13)27-21-19(25)20(23(33)35-16-8-10-34-11-9-16)28-24(29-21)36-17-6-4-15(5-7-17)26-22(32)14-2-3-14/h4-7,12,14,16H,2-3,8-11,25H2,1H3,(H,26,32)(H2,27,28,29,30,31)