6-ethylsulfanyl-N-(3-ethynylphenyl)quinazolin-4-amine hydrochloride

Systemtic Name: 6-ethylsulfanyl-N-(3-ethynylphenyl)quinazolin-4-amine hydrochloride Openeye Name: 6-ethylsulfanyl-N-(3-ethynylphenyl)quinazolin-4-amine hydrochloride CAS Name: 6-(ethylthio)-N-(3-ethynylphenyl)-4-quinazolinamine hydrochloride IUPAC Name: 6-ethylsulfanyl-N-(3-ethynylphenyl)quinazolin-4-amine hydrochloride Traditional Name: [6-(ethylthio)quinazolin-4-yl]-(3-ethynylphenyl)amine hydrochloride Formula: C18H16ClN3S MolecularWeight: 341.85774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C.Cl

Isomeric SMILES

CCSC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C.Cl

InChI

InChI=1S/C18H15N3S.ClH/c1-3-13-6-5-7-14(10-13)21-18-16-11-15(22-4-2)8-9-17(16)19-12-20-18;/h1,5-12H,4H2,2H3,(H,19,20,21);1H