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

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-[(4-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-6-morpholino-2-[(4-morpholinosulfonylphenyl)methylsulfanyl]pyrimidin-4-amine CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-2-[[4-(4-morpholinylsulfonyl)phenyl]methylthio]-4-pyrimidinamine IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-[(4-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyrimidin-4-amine Traditional Name: (5-methyl-1H-pyrazol-3-yl)-[6-morpholino-2-[(4-morpholinosulfonylbenzyl)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)N5CCOCC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCOCC3)SCC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

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