(2S)-2-[(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)methyl]pentanedinitrile

Systemtic Name: (2S)-2-[(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)methyl]pentanedinitrile Openeye Name: (2S)-2-[(6-bromo-4-oxo-quinazolin-3-yl)methyl]pentanedinitrile CAS Name: (2S)-2-[(6-bromo-4-oxo-3-quinazolinyl)methyl]pentanedinitrile IUPAC Name: (2S)-2-[(6-bromo-4-oxoquinazolin-3-yl)methyl]pentanedinitrile Traditional Name: (2S)-2-[(6-bromo-4-keto-quinazolin-3-yl)methyl]glutaronitrile Formula: C14H11BrN4O MolecularWeight: 331.16734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=O)N(C=N2)CC(CCC#N)C#N

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=O)N(C=N2)C[C@H](CCC#N)C#N

InChI

InChI=1S/C14H11BrN4O/c15-11-3-4-13-12(6-11)14(20)19(9-18-13)8-10(7-17)2-1-5-16/h3-4,6,9-10H,1-2,8H2/t10-/m1/s1