(2R)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2R)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2R)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2R)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2R)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2R)-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(N(N=C3C)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=C(N(N=C3C)C)C

InChI

InChI=1S/C21H27N5O2S/c1-6-7-12-26-20(28)16-10-8-9-11-17(16)22-21(26)29-15(4)19(27)23-18-13(2)24-25(5)14(18)3/h8-11,15H,6-7,12H2,1-5H3,(H,23,27)/t15-/m1/s1