[7-acetyloxy-4-[(3-ethynylphenyl)amino]quinazolin-6-yl] ethanoate; methanesulfonic acid

Systemtic Name: [7-acetyloxy-4-[(3-ethynylphenyl)amino]quinazolin-6-yl] ethanoate; methanesulfonic acid Openeye Name: [7-acetoxy-4-(3-ethynylanilino)quinazolin-6-yl] acetate; methanesulfonic acid CAS Name: acetic acid [7-acetyloxy-4-(3-ethynylanilino)-6-quinazolinyl] ester; methanesulfonic acid IUPAC Name: [7-acetyloxy-4-(3-ethynylanilino)quinazolin-6-yl] acetate; methanesulfonic acid Traditional Name: acetic acid [7-acetoxy-4-(3-ethynylanilino)quinazolin-6-yl] ester; mesylic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC(=O)C.CS(=O)(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC(=O)C.CS(=O)(=O)O

InChI

InChI=1S/C20H15N3O4.CH4O3S/c1-4-14-6-5-7-15(8-14)23-20-16-9-18(26-12(2)24)19(27-13(3)25)10-17(16)21-11-22-20;1-5(2,3)4/h1,5-11H,2-3H3,(H,21,22,23);1H3,(H,2,3,4)