N-[4-[5-azanyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylcarbonyl-pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[5-azanyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylcarbonyl-pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[5-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(morpholine-4-carbonyl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[5-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[4-morpholinyl(oxo)methyl]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[5-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(morpholine-4-carbonyl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[5-amino-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(morpholine-4-carbonyl)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C23H26N8O3S MolecularWeight: 494.56934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)N3CCOCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2N)C(=O)N3CCOCC3)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C23H26N8O3S/c1-13-12-17(30-29-13)26-20-18(24)19(22(33)31-8-10-34-11-9-31)27-23(28-20)35-16-6-4-15(5-7-16)25-21(32)14-2-3-14/h4-7,12,14H,2-3,8-11,24H2,1H3,(H,25,32)(H2,26,27,28,29,30)