(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H25N5O2S/c1-5-13-25-20(28)16-9-7-8-10-17(16)23-21(25)29-15(4)19(27)24-18-11-12-22-26(18)14(3)6-2/h5,7-12,14-15H,1,6,13H2,2-4H3,(H,24,27)/t14-,15-/m0/s1