2-[(1S)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC(C)C2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(N=C(N=C1C)S[C@@H](C)C2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C17H18N4OS/c1-9-10(2)18-17(19-11(9)3)23-12(4)15-20-14-8-6-5-7-13(14)16(22)21-15/h5-8,12H,1-4H3,(H,20,21,22)/t12-/m0/s1