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

Systemtic Name: 1-(3-azanyl-5-methyl-pyrazol-1-yl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(3-amino-5-methyl-1-pyrazolyl)-2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(3-amino-5-methylpyrazol-1-yl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]ethanone Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4)N

InChI

InChI=1S/C20H24N6OS/c1-13-11-17(21)25-26(13)18(27)12-28-20-23-16-10-6-5-9-15(16)19(24-20)22-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H2,21,25)(H,22,23,24)