1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]-3-methyl-1-(methylcarbamoyl)urea

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]-3-methyl-1-(methylcarbamoyl)urea Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]-3-methyl-1-(methylcarbamoyl)urea CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-3-methyl-1-(methylcarbamoyl)urea IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]-3-methyl-1-(methylcarbamoyl)urea Traditional Name: 1-[6-chloro-4-(piperonylamino)quinazolin-2-yl]-3-methyl-1-(methylcarbamoyl)urea Formula: C20H19ClN6O4 MolecularWeight: 442.85566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4)C(=O)NC

Isomeric SMILES

CNC(=O)N(C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4)C(=O)NC

InChI

InChI=1S/C20H19ClN6O4/c1-22-19(28)27(20(29)23-2)18-25-14-5-4-12(21)8-13(14)17(26-18)24-9-11-3-6-15-16(7-11)31-10-30-15/h3-8H,9-10H2,1-2H3,(H,22,28)(H,23,29)(H,24,25,26)