(2R)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide

Systemtic Name: (2R)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide Openeye Name: (2R)-2-[3-[(1S)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanylpropanamide CAS Name: (2R)-2-[[3-[(2S)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-2-[[3-[(1S)-1,5-dimethylhexyl]-4-keto-quinazolin-2-yl]thio]propionamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N

Isomeric SMILES

C[C@@H](CCCC(C)C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N

InChI

InChI=1S/C19H27N3O2S/c1-12(2)8-7-9-13(3)22-18(24)15-10-5-6-11-16(15)21-19(22)25-14(4)17(20)23/h5-6,10-14H,7-9H2,1-4H3,(H2,20,23)/t13-,14+/m0/s1