ethyl 4-[propyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[propyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[propyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylate CAS Name: 4-[propyl-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[propyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylate Traditional Name: 4-[propyl-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C43H39N7O2 MolecularWeight: 685.81546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=NC=NC=C7C(=O)OCC

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=NC=NC=C7C(=O)OCC

InChI

InChI=1S/C43H39N7O2/c1-3-28-49(40-39(29-44-31-45-40)42(51)52-4-2)30-32-24-26-33(27-25-32)37-22-14-15-23-38(37)41-46-47-48-50(41)43(34-16-8-5-9-17-34,35-18-10-6-11-19-35)36-20-12-7-13-21-36/h5-27,29,31H,3-4,28,30H2,1-2H3