2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-6-(4-methoxyphenyl)-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-olate Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H22N4O3S/c1-13(25)24-9-7-23(8-10-24)12-18-21-16-11-17(28-19(16)20(26)22-18)14-3-5-15(27-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,21,22,26)