N4-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N6-propyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholinosulfonylphenyl)methylsulfanyl]-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-(5-methyl-1H-pyrazol-3-yl)-2-[[4-(4-morpholinylsulfonyl)phenyl]methylthio]-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-6-N-propylpyrimidine-4,6-diamine Traditional Name: (5-methyl-1H-pyrazol-3-yl)-[2-[(4-morpholinosulfonylbenzyl)thio]-6-(propylamino)pyrimidin-4-yl]amine Formula: C22H29N7O3S2 MolecularWeight: 503.64076

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC(=C1)NC2=NNC(=C2)C)SCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCNC1=NC(=NC(=C1)NC2=NNC(=C2)C)SCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H29N7O3S2/c1-3-8-23-19-14-20(24-21-13-16(2)27-28-21)26-22(25-19)33-15-17-4-6-18(7-5-17)34(30,31)29-9-11-32-12-10-29/h4-7,13-14H,3,8-12,15H2,1-2H3,(H3,23,24,25,26,27,28)