N-[4-[4-(diethylamino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[4-(diethylamino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-(diethylamino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(diethylamino)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-(diethylamino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-(diethylamino)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C21H25N7OS MolecularWeight: 423.5345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)NC2=CC=NN2)SC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)NC2=CC=NN2)SC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H25N7OS/c1-3-28(4-2)19-13-18(24-17-11-12-22-27-17)25-21(26-19)30-16-9-7-15(8-10-16)23-20(29)14-5-6-14/h7-14H,3-6H2,1-2H3,(H,23,29)(H2,22,24,25,26,27)