(2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C20H23N5O2S/c1-6-11-25-19(27)15-9-7-8-10-16(15)21-20(25)28-14(4)18(26)22-17-12(2)23-24(5)13(17)3/h6-10,14H,1,11H2,2-5H3,(H,22,26)/t14-/m0/s1