1-(3-azanyl-5-methyl-pyrazol-1-yl)-2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3-azanyl-5-methyl-pyrazol-1-yl)-2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(3-amino-5-methyl-1-pyrazolyl)-2-[[4-(3,5-dimethoxyanilino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(3-amino-5-methylpyrazol-1-yl)-2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[[4-(3,5-dimethoxyanilino)quinazolin-2-yl]thio]ethanone Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)OC)OC)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)OC)OC)N

InChI

InChI=1S/C22H22N6O3S/c1-13-8-19(23)27-28(13)20(29)12-32-22-25-18-7-5-4-6-17(18)21(26-22)24-14-9-15(30-2)11-16(10-14)31-3/h4-11H,12H2,1-3H3,(H2,23,27)(H,24,25,26)