2-[4-(3H-benzimidazol-5-ylamino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoate

Systemtic Name: 2-[4-(3H-benzimidazol-5-ylamino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoate Openeye Name: 2-[4-(3H-benzimidazol-5-ylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl]prop-2-enoate CAS Name: 2-[4-(3H-benzimidazol-5-ylamino)-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propenoate IUPAC Name: 2-[4-(3H-benzimidazol-5-ylamino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoate Traditional Name: 2-[4-(3H-benzimidazol-5-ylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl]acrylate Formula: C25H25N6O4- MolecularWeight: 473.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N=CN4)OCCCN5CCOCC5)C(=O)[O-]

Isomeric SMILES

C=C(C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N=CN4)OCCCN5CCOCC5)C(=O)[O-]

InChI

InChI=1S/C25H26N6O4/c1-16(25(32)33)18-12-19-21(13-23(18)35-8-2-5-31-6-9-34-10-7-31)27-15-29-24(19)30-17-3-4-20-22(11-17)28-14-26-20/h3-4,11-15H,1-2,5-10H2,(H,26,28)(H,32,33)(H,27,29,30)/p-1