(2R)-2-[[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C19H15ClN4O2S MolecularWeight: 398.866

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(CCC#N)C#N

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC[C@H](CCC#N)C#N

InChI

InChI=1S/C19H15ClN4O2S/c20-14-5-6-16-17(9-14)23-19(27-12-13(10-22)3-1-7-21)24(18(16)25)11-15-4-2-8-26-15/h2,4-6,8-9,13H,1,3,11-12H2/t13-/m1/s1