3-[5-(4-bromophenyl)-1,3-oxazol-4-yl]-1-methylsulfanyl-10-oxidanylidene-pyrimido[6,1-b]quinazoline-4-carbonitrile

Systemtic Name: 3-[5-(4-bromophenyl)-1,3-oxazol-4-yl]-1-methylsulfanyl-10-oxidanylidene-pyrimido[6,1-b]quinazoline-4-carbonitrile Openeye Name: 3-[5-(4-bromophenyl)oxazol-4-yl]-1-methylsulfanyl-10-oxo-pyrimido[6,1-b]quinazoline-4-carbonitrile CAS Name: 3-[5-(4-bromophenyl)-4-oxazolyl]-1-(methylthio)-10-oxo-4-pyrimido[6,1-b]quinazolinecarbonitrile IUPAC Name: 3-[5-(4-bromophenyl)-1,3-oxazol-4-yl]-1-methylsulfanyl-10-oxopyrimido[6,1-b]quinazoline-4-carbonitrile Traditional Name: 3-[5-(4-bromophenyl)oxazol-4-yl]-10-keto-1-(methylthio)pyrimido[6,1-b]quinazoline-4-carbonitrile Formula: C22H12BrN5O2S MolecularWeight: 490.33198

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C2=NC3=CC=CC=C3C(=O)N21)C#N)C4=C(OC=N4)C5=CC=C(C=C5)Br

Isomeric SMILES

CSC1=NC(=C(C2=NC3=CC=CC=C3C(=O)N21)C#N)C4=C(OC=N4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H12BrN5O2S/c1-31-22-27-17(18-19(30-11-25-18)12-6-8-13(23)9-7-12)15(10-24)20-26-16-5-3-2-4-14(16)21(29)28(20)22/h2-9,11H,1H3