3-[(2R)-1-methoxypropan-2-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(2R)-1-methoxypropan-2-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[(2R)-1-methoxypropan-2-yl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-[(2R)-1-methoxypropan-2-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@H](COC)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H22N4O2S/c1-16(14-28-2)26-21(27)19-6-3-4-7-20(19)24-22(26)29-15-17-8-10-18(11-9-17)25-13-5-12-23-25/h3-13,16H,14-15H2,1-2H3/t16-/m1/s1