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

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(3-cyclopropyl-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-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(3-cyclopropyl-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)N2C4CC4

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H25N5O2S/c1-4-13(2)26-18(11-12-22-26)24-19(27)14(3)29-21-23-17-8-6-5-7-16(17)20(28)25(21)15-9-10-15/h5-8,11-15H,4,9-10H2,1-3H3,(H,24,27)/t13-,14-/m0/s1