3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl]thio]quinazolin-4-one Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)N4CCCC4

InChI

InChI=1S/C23H31N3O2S/c1-15-9-8-12-20(16(15)2)26-22(28)18-10-4-5-11-19(18)24-23(26)29-17(3)21(27)25-13-6-7-14-25/h4-5,10-11,15-17,20H,6-9,12-14H2,1-3H3/t15-,16+,17-,20+/m0/s1