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

Systemtic Name: 2-piperidin-1-ylethyl 5-azanyl-2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate Openeye Name: 2-(1-piperidyl)ethyl 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-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 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-piperidinoethyl ester Formula: C26H32N8O3S MolecularWeight: 536.64908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OCCN3CCCCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)OCCN3CCCCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C26H32N8O3S/c1-16-15-20(33-32-16)29-23-21(27)22(25(36)37-14-13-34-11-3-2-4-12-34)30-26(31-23)38-19-9-7-18(8-10-19)28-24(35)17-5-6-17/h7-10,15,17H,2-6,11-14,27H2,1H3,(H,28,35)(H2,29,30,31,32,33)