(2R)-N-(methylcarbamoyl)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(methylcarbamoyl)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-2-[3-[(1S)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: (2R)-N-(methylcarbamoyl)-2-[[3-[(2S)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(methylcarbamoyl)-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]-N-(methylcarbamoyl)propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-13(2)9-8-10-14(3)25-19(27)16-11-6-7-12-17(16)23-21(25)29-15(4)18(26)24-20(28)22-5/h6-7,11-15H,8-10H2,1-5H3,(H2,22,24,26,28)/t14-,15+/m0/s1