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

Systemtic Name: methyl 4-[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylbenzoate Openeye Name: methyl 4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylbenzoate CAS Name: 4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-2-quinazolinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylbenzoate Traditional Name: 4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]thio]benzoic acid methyl ester Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=C3C(=CC=C2)N=C(N=C3N)SC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=NN1)C2=C3C(=CC=C2)N=C(N=C3N)SC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H17N5O2S/c1-11-10-16(25-24-11)14-4-3-5-15-17(14)18(21)23-20(22-15)28-13-8-6-12(7-9-13)19(26)27-2/h3-10H,1-2H3,(H,24,25)(H2,21,22,23)