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

Systemtic Name: N-[4-[4-azanyl-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-amino-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-amino-5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-quinazolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-amino-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4-amino-5-(5-cyclopropyl-1H-pyrazol-3-yl)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)N)C4=NNC(=C4)C5CC5

Isomeric SMILES

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

InChI

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