2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5-ethoxycarbonyl-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H30N4O4/c1-3-35-28(34)23-19(2)36-27-24(23)26(33)29-22(30-27)18-31-14-16-32(17-15-31)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,25H,3,14-18H2,1-2H3,(H,29,30,33)