[1-(4-azanyl-6,7-dimethoxy-5-thiophen-3-yl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [1-(4-azanyl-6,7-dimethoxy-5-thiophen-3-yl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]-morpholin-4-yl-methanone Openeye Name: [1-[4-amino-6,7-dimethoxy-5-(3-thienyl)quinazolin-2-yl]-1,4-diazepan-1-ium-1-yl]-morpholino-methanone CAS Name: [1-[4-amino-6,7-dimethoxy-5-(3-thiophenyl)-2-quinazolinyl]-1,4-diazepan-1-ium-1-yl]-(4-morpholinyl)methanone IUPAC Name: [1-(4-amino-6,7-dimethoxy-5-thiophen-3-ylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]-morpholin-4-ylmethanone Traditional Name: [1-[4-amino-6,7-dimethoxy-5-(3-thienyl)quinazolin-2-yl]-1,4-diazepan-1-ium-1-yl]-morpholino-methanone Formula: C24H31N6O4S+ MolecularWeight: 499.60574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=C(N=C2N)[N+]3(CCCNCC3)C(=O)N4CCOCC4)C5=CSC=C5)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=C(N=C2N)[N+]3(CCCNCC3)C(=O)N4CCOCC4)C5=CSC=C5)OC

InChI

InChI=1S/C24H31N6O4S/c1-32-18-14-17-20(19(21(18)33-2)16-4-13-35-15-16)22(25)28-23(27-17)30(9-3-5-26-6-10-30)24(31)29-7-11-34-12-8-29/h4,13-15,26H,3,5-12H2,1-2H3,(H2,25,27,28)/q+1