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

Systemtic Name: (2R)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: (2R)-2-[3-[(1S)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: (2R)-2-[[3-[(2S)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-2-[[3-[(1S)-1,5-dimethylhexyl]-4-keto-quinazolin-2-yl]thio]propionitrile Formula: C19H25N3OS MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3OS/c1-13(2)8-7-9-14(3)22-18(23)16-10-5-6-11-17(16)21-19(22)24-15(4)12-20/h5-6,10-11,13-15H,7-9H2,1-4H3/t14-,15+/m0/s1