benzenesulfonic acid; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine

Systemtic Name: benzenesulfonic acid; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine Openeye Name: benzenesulfonic acid; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine CAS Name: benzenesulfonic acid; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine IUPAC Name: benzenesulfonic acid; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine Traditional Name: besylic acid; [6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C28H29N3O7S MolecularWeight: 551.61076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H23N3O4.C6H6O3S/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;7-10(8,9)6-4-2-1-3-5-6/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1-5H,(H,7,8,9)