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

Systemtic Name: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]propanamide CAS Name: (2R)-N-[2-[(2R)-butan-2-yl]-3-pyrazolyl]-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]propionamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=NN3C(C)CC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=CC=NN3[C@H](C)CC

InChI

InChI=1S/C22H29N5O2S/c1-5-7-14-26-21(29)17-10-8-9-11-18(17)24-22(26)30-16(4)20(28)25-19-12-13-23-27(19)15(3)6-2/h8-13,15-16H,5-7,14H2,1-4H3,(H,25,28)/t15-,16-/m1/s1