(2R)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: (2R)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: (2R)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: (2R)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: (2R)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-(3-pyridylmethyl)butyramide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC[C@H](C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C23H26N4O2S/c1-2-20(21(28)25-15-16-8-7-13-24-14-16)30-23-26-19-12-6-5-11-18(19)22(29)27(23)17-9-3-4-10-17/h5-8,11-14,17,20H,2-4,9-10,15H2,1H3,(H,25,28)/t20-/m1/s1