N-(1-cyano-3-piperidin-1-yl-propyl)-2-[[2-oxidanylidene-1-(3-piperidin-1-ylpropyl)quinazolin-4-yl]amino]-3-(phenylmethyl)sulfinyl-propanamide

Systemtic Name: N-(1-cyano-3-piperidin-1-yl-propyl)-2-[[2-oxidanylidene-1-(3-piperidin-1-ylpropyl)quinazolin-4-yl]amino]-3-(phenylmethyl)sulfinyl-propanamide Openeye Name: 3-benzylsulfinyl-N-[1-cyano-3-(1-piperidyl)propyl]-2-[[2-oxo-1-[3-(1-piperidyl)propyl]quinazolin-4-yl]amino]propanamide CAS Name: N-[1-cyano-3-(1-piperidinyl)propyl]-2-[[2-oxo-1-[3-(1-piperidinyl)propyl]-4-quinazolinyl]amino]-3-(phenylmethyl)sulfinylpropanamide IUPAC Name: 3-benzylsulfinyl-N-(1-cyano-3-piperidin-1-ylpropyl)-2-[[2-oxo-1-(3-piperidin-1-ylpropyl)quinazolin-4-yl]amino]propanamide Traditional Name: 3-benzylsulfinyl-N-(1-cyano-3-piperidino-propyl)-2-[[2-keto-1-(3-piperidinopropyl)quinazolin-4-yl]amino]propionamide Formula: C35H47N7O3S MolecularWeight: 645.85778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C3=CC=CC=C3C(=NC2=O)NC(CS(=O)CC4=CC=CC=C4)C(=O)NC(CCN5CCCCC5)C#N

Isomeric SMILES

C1CCN(CC1)CCCN2C3=CC=CC=C3C(=NC2=O)NC(CS(=O)CC4=CC=CC=C4)C(=O)NC(CCN5CCCCC5)C#N

InChI

InChI=1S/C35H47N7O3S/c36-25-29(17-24-41-20-10-3-11-21-41)37-34(43)31(27-46(45)26-28-13-4-1-5-14-28)38-33-30-15-6-7-16-32(30)42(35(44)39-33)23-12-22-40-18-8-2-9-19-40/h1,4-7,13-16,29,31H,2-3,8-12,17-24,26-27H2,(H,37,43)(H,38,39,44)