3-(3-aminophenyl)-7-chloranyl-1H-quinazoline-2,4-dione; methanesulfonic acid

Systemtic Name: 3-(3-aminophenyl)-7-chloranyl-1H-quinazoline-2,4-dione; methanesulfonic acid Openeye Name: 3-(3-aminophenyl)-7-chloro-1H-quinazoline-2,4-dione; methanesulfonic acid CAS Name: 3-(3-aminophenyl)-7-chloro-1H-quinazoline-2,4-dione; methanesulfonic acid IUPAC Name: 3-(3-aminophenyl)-7-chloro-1H-quinazoline-2,4-dione; methanesulfonic acid Traditional Name: 3-(3-aminophenyl)-7-chloro-1H-quinazoline-2,4-quinone; mesylic acid Formula: C15H14ClN3O5S MolecularWeight: 383.80676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC(=C1)N)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC(=C1)N)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O

InChI

InChI=1S/C14H10ClN3O2.CH4O3S/c15-8-4-5-11-12(6-8)17-14(20)18(13(11)19)10-3-1-2-9(16)7-10;1-5(2,3)4/h1-7H,16H2,(H,17,20);1H3,(H,2,3,4)