(E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]but-2-en-1-one CAS Name: (E)-1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]but-2-en-1-one Formula: C18H23N5O3 MolecularWeight: 357.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC

Isomeric SMILES

C/C=C/C(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC

InChI

InChI=1S/C18H23N5O3/c1-4-5-16(24)22-6-8-23(9-7-22)18-20-13-11-15(26-3)14(25-2)10-12(13)17(19)21-18/h4-5,10-11H,6-9H2,1-3H3,(H2,19,20,21)/b5-4+