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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

InChI

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