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

Systemtic Name: 1-(3-azanyl-5-methyl-pyrazol-1-yl)-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(3-amino-5-methyl-1-pyrazolyl)-2-[[4-[(4-methoxyphenyl)methylamino]-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(3-amino-5-methylpyrazol-1-yl)-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(3-amino-5-methyl-pyrazol-1-yl)-2-[[4-(p-anisylamino)quinazolin-2-yl]thio]ethanone Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)OC)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)OC)N

InChI

InChI=1S/C22H22N6O2S/c1-14-11-19(23)27-28(14)20(29)13-31-22-25-18-6-4-3-5-17(18)21(26-22)24-12-15-7-9-16(30-2)10-8-15/h3-11H,12-13H2,1-2H3,(H2,23,27)(H,24,25,26)