N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-thiomorpholin-4-yl-pyrimidin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-thiomorpholin-4-yl-pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-thiomorpholino-pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-thiomorpholin-4-yl-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-thiomorpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-thiomorpholino-pyrimidin-2-yl]thio]phenyl]propionamide Formula: C21H25N7OS2 MolecularWeight: 455.5995

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCSCC4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCSCC4

InChI

InChI=1S/C21H25N7OS2/c1-3-20(29)22-15-4-6-16(7-5-15)31-21-24-17(23-18-12-14(2)26-27-18)13-19(25-21)28-8-10-30-11-9-28/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,29)(H2,23,24,25,26,27)