7-chloranyl-N-(3-ethynylphenyl)-6-propylsulfanyl-quinazolin-4-amine

Systemtic Name: 7-chloranyl-N-(3-ethynylphenyl)-6-propylsulfanyl-quinazolin-4-amine Openeye Name: 7-chloro-N-(3-ethynylphenyl)-6-propylsulfanyl-quinazolin-4-amine CAS Name: 7-chloro-N-(3-ethynylphenyl)-6-(propylthio)-4-quinazolinamine IUPAC Name: 7-chloro-N-(3-ethynylphenyl)-6-propylsulfanylquinazolin-4-amine Traditional Name: [7-chloro-6-(propylthio)quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C19H16ClN3S MolecularWeight: 353.86844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)Cl

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)Cl

InChI

InChI=1S/C19H16ClN3S/c1-3-8-24-18-10-15-17(11-16(18)20)21-12-22-19(15)23-14-7-5-6-13(4-2)9-14/h2,5-7,9-12H,3,8H2,1H3,(H,21,22,23)