2,4-bis(azanyl)-7-butylsulfanyl-8-chloranyl-5-fluoranyl-quinazoline-6-carbonitrile

Systemtic Name: 2,4-bis(azanyl)-7-butylsulfanyl-8-chloranyl-5-fluoranyl-quinazoline-6-carbonitrile Openeye Name: 2,4-diamino-7-butylsulfanyl-8-chloro-5-fluoro-quinazoline-6-carbonitrile CAS Name: 2,4-diamino-7-(butylthio)-8-chloro-5-fluoro-6-quinazolinecarbonitrile IUPAC Name: 2,4-diamino-7-butylsulfanyl-8-chloro-5-fluoroquinazoline-6-carbonitrile Traditional Name: 2,4-diamino-7-(butylthio)-8-chloro-5-fluoro-quinazoline-6-carbonitrile Formula: C13H13ClFN5S MolecularWeight: 325.792223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C2=C(C(=C1C#N)F)C(=NC(=N2)N)N)Cl

Isomeric SMILES

CCCCSC1=C(C2=C(C(=C1C#N)F)C(=NC(=N2)N)N)Cl

InChI

InChI=1S/C13H13ClFN5S/c1-2-3-4-21-11-6(5-16)9(15)7-10(8(11)14)19-13(18)20-12(7)17/h2-4H2,1H3,(H4,17,18,19,20)