N-(3-ethynylphenyl)-7-propylsulfanyl-quinazolin-4-amine hydrochloride

Systemtic Name: N-(3-ethynylphenyl)-7-propylsulfanyl-quinazolin-4-amine hydrochloride Openeye Name: N-(3-ethynylphenyl)-7-propylsulfanyl-quinazolin-4-amine hydrochloride CAS Name: N-(3-ethynylphenyl)-7-(propylthio)-4-quinazolinamine hydrochloride IUPAC Name: N-(3-ethynylphenyl)-7-propylsulfanylquinazolin-4-amine hydrochloride Traditional Name: (3-ethynylphenyl)-[7-(propylthio)quinazolin-4-yl]amine hydrochloride Formula: C19H18ClN3S MolecularWeight: 355.88432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C.Cl

Isomeric SMILES

CCCSC1=CC2=C(C=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C.Cl

InChI

InChI=1S/C19H17N3S.ClH/c1-3-10-23-16-8-9-17-18(12-16)20-13-21-19(17)22-15-7-5-6-14(4-2)11-15;/h2,5-9,11-13H,3,10H2,1H3,(H,20,21,22);1H