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

Systemtic Name: 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-6-(4-methoxyphenyl)-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[(4-carbethoxypiperazino)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-olate Formula: C21H23N4O4S- MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C(=N2)[O-])SC(=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H24N4O4S/c1-3-29-21(27)25-10-8-24(9-11-25)13-18-22-16-12-17(30-19(16)20(26)23-18)14-4-6-15(28-2)7-5-14/h4-7,12H,3,8-11,13H2,1-2H3,(H,22,23,26)/p-1