(E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(5-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-(5-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-3-(5-methyl-2-thienyl)prop-2-en-1-one Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

InChI

InChI=1S/C22H25N5O3S/c1-14-4-5-15(31-14)6-7-20(28)26-8-10-27(11-9-26)22-24-17-13-19(30-3)18(29-2)12-16(17)21(23)25-22/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24,25)/b7-6+