N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C22H20N6OS MolecularWeight: 416.4988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C22H20N6OS/c1-13-12-19(28-27-13)25-20-17-4-2-3-5-18(17)24-22(26-20)30-16-10-8-15(9-11-16)23-21(29)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,23,29)(H2,24,25,26,27,28)