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

Systemtic Name: 5-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-4-cyclohex-2-en-1-yl-piperazin-4-ium-1-yl]thiophen-3-one Openeye Name: 5-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-cyclohex-2-en-1-yl-piperazin-4-ium-1-yl]thiophen-3-one CAS Name: 5-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-cyclohex-2-enyl)-1-piperazin-4-iumyl]-3-thiophenone IUPAC Name: 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-cyclohex-2-en-1-ylpiperazin-4-ium-1-yl]thiophen-3-one Traditional Name: 5-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-cyclohex-2-en-1-yl-piperazin-4-ium-1-yl]thiophen-3-one Formula: C24H30N5O3S+ MolecularWeight: 468.5917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)[N+]3(CCN(CC3)C4=CC(=O)CS4)C5CCCC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)[N+]3(CCN(CC3)C4=CC(=O)CS4)C5CCCC=C5)N)OC

InChI

InChI=1S/C24H30N5O3S/c1-31-20-13-18-19(14-21(20)32-2)26-24(27-23(18)25)29(16-6-4-3-5-7-16)10-8-28(9-11-29)22-12-17(30)15-33-22/h4,6,12-14,16H,3,5,7-11,15H2,1-2H3,(H2,25,26,27)/q+1