2-(cyanomethylsulfanyl)-4-oxidanylidene-N-[[(2R)-oxolan-2-yl]methyl]-3-pentyl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-4-oxidanylidene-N-[[(2R)-oxolan-2-yl]methyl]-3-pentyl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-4-oxo-3-pentyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-4-oxo-N-[[(2R)-2-oxolanyl]methyl]-3-pentyl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-2-(cyanomethylthio)-4-keto-N-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC[C@H]3CCCO3)N=C1SCC#N

InChI

InChI=1S/C21H26N4O3S/c1-2-3-4-10-25-20(27)17-8-7-15(13-18(17)24-21(25)29-12-9-22)19(26)23-14-16-6-5-11-28-16/h7-8,13,16H,2-6,10-12,14H2,1H3,(H,23,26)/t16-/m1/s1