N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O2S/c1-18-14-23(30-29-18)28-24(33)17-35-26-27-22-11-10-20(31-12-6-3-7-13-31)15-21(22)25(34)32(26)16-19-8-4-2-5-9-19/h2,4-5,8-11,14-15H,3,6-7,12-13,16-17H2,1H3,(H2,28,29,30,33)