methyl 3-[4-azanyl-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 3-[4-azanyl-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylbenzoate Openeye Name: methyl 3-[4-amino-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylbenzoate CAS Name: 3-[[4-amino-5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-quinazolinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[4-amino-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylbenzoate Traditional Name: 3-[[4-amino-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-2-yl]thio]benzoic acid methyl ester Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O2S/c1-29-21(28)13-4-2-5-14(10-13)30-22-24-16-7-3-6-15(19(16)20(23)25-22)18-11-17(26-27-18)12-8-9-12/h2-7,10-12H,8-9H2,1H3,(H,26,27)(H2,23,24,25)