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

Systemtic Name: methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate Openeye Name: methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate CAS Name: 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate Traditional Name: 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]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)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

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

InChI

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