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

Systemtic Name: 3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-thiophen-2-yl-cyclohex-2-en-1-one Openeye Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(2-thienyl)cyclohex-2-en-1-one CAS Name: 3-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-thiophen-2-yl-1-cyclohex-2-enone IUPAC Name: 3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-thiophen-2-ylcyclohex-2-en-1-one Traditional Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-5-(2-thienyl)cyclohex-2-en-1-one Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC(=O)CC(C4)C5=CC=CS5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC(=O)CC(C4)C5=CC=CS5)N)OC

InChI

InChI=1S/C24H27N5O3S/c1-31-20-13-18-19(14-21(20)32-2)26-24(27-23(18)25)29-7-5-28(6-8-29)16-10-15(11-17(30)12-16)22-4-3-9-33-22/h3-4,9,12-15H,5-8,10-11H2,1-2H3,(H2,25,26,27)