N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-[(4-morpholin-2-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-[(4-morpholin-2-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-6-morpholino-2-[(4-morpholin-2-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-2-[[4-(2-morpholinylsulfonyl)phenyl]methylthio]-4-pyrimidinamine IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-[(4-morpholin-2-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine Traditional Name: (5-methyl-1H-pyrazol-3-yl)-[6-morpholino-2-[(4-morpholin-2-ylsulfonylbenzyl)thio]pyrimidin-4-yl]amine Formula: C23H29N7O4S2 MolecularWeight: 531.65086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCOCC3)SCC4=CC=C(C=C4)S(=O)(=O)C5CNCCO5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCOCC3)SCC4=CC=C(C=C4)S(=O)(=O)C5CNCCO5

InChI

InChI=1S/C23H29N7O4S2/c1-16-12-20(29-28-16)25-19-13-21(30-7-10-33-11-8-30)27-23(26-19)35-15-17-2-4-18(5-3-17)36(31,32)22-14-24-6-9-34-22/h2-5,12-13,22,24H,6-11,14-15H2,1H3,(H2,25,26,27,28,29)